SCHEMBL72851

SCHEMBL72851

Nc1ccccc1CC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.61
TDP1 Q9NUW8 1/20 0.53
CYP2C9 P11712 1/20 0.51
HPGD P15428 1/20 0.51
CYP2C19 P33261 1/20 0.51
BCAT2 O15382 1/20 0.47
CXCL8 P10145 5/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
MAPT P10636 1/20 0.46
FDPS P14324 1/20 0.44
PTGS1 P23219 3/20 0.44
PTGS2 P35354 3/20 0.44
LMNA P02545 2/20 0.44
ABCB11 O95342 2/20 0.44
ADORA1 P30542 1/20 0.44
ABCC4 O15439 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6657242 0.98 AKR1B1 (0.59) AKR1B1TDP1CYP2C9HPGDCYP2C19
SCHEMBL11275745 0.98 AKR1B1 (0.59) AKR1B1TDP1CYP2C9HPGDCYP2C19
SCHEMBL28066741 0.98 AKR1B1 (0.59) AKR1B1TDP1CYP2C9HPGDCYP2C19
Hydrochloric Acid SCHEMBL5064627 0.98 AKR1B1 (0.59) AKR1B1TDP1CYP2C9HPGDCYP2C19
Ammonia Solution, Strong SCHEMBL27823309 0.98 AKR1B1 (0.59) AKR1B1TDP1CYP2C9HPGDCYP2C19
SCHEMBL15820219 0.98 AKR1B1 (0.59) AKR1B1TDP1CYP2C9HPGDCYP2C19
Acetic Acid SCHEMBL9403713 0.94 AKR1B1 (0.55) AKR1B1TDP1CYP2C9HPGDCYP2C19
SCHEMBL11071787 0.87 AKR1B1 (0.48) AKR1B1TDP1CYP2C9HPGDCYP2C19
SCHEMBL11066047 0.86 AKR1B1 (0.47) AKR1B1TDP1CYP2C9HPGDCYP2C19
SCHEMBL28198860 0.86 CXCL8 (0.49) AKR1B1TDP1CYP2C9HPGDCYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1684 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122036548-A Tumor cell inhibitor and preparation method and application thereof 长治医学院 2026-05-15 CN claimed
WO-2025243208-A2 PROCESS FOR THE PREPARATION AND/OR PURIFICATION OF POLYETHYLENE GLYCOL AND ITS DERIVATIVES, OBTAINED PRODUCT AND USES THEREOF HOVIONE - FARMACIÊNCIA, SA (PT) 2025-11-27 WO claimed
WO-2025151884-A1 USE OF GLYCOSAMINOGLYCAN SULFATED POLYSACCHARIDES SUCH AS SODIUM PENTOSAN POLYSULFATE IN COMBINATION WITH PERMEATION AGENTS TO TREAT ALZHEIMER'S DISEASE PARSONS C LOWELL (US) 2025-07-17 WO claimed
CN-118996022-A Organic leather tanning agent with covalent tanning characteristics, and preparation method and application thereof 四川德赛尔新材料科技有限公司 2024-11-22 CN claimed
CN-113698308-B Synthesis method of bromfenac sodium 山东辰龙药业有限公司 2024-06-21 CN claimed
CN-114057917-B Post-treatment ashless dispersant and preparation method thereof 中国石油天然气股份有限公司 2024-03-26 CN claimed
WO-2023145712-A1 LIQUID DISPERSION, LIGHT ABSORPTION LAYER, PHOTOELECTRIC CONVERSION ELEMENT, AND SOLAR CELL 花王株式会社 2023-08-03 WO claimed
WO-2023137366-A2 DE NOVO DESIGNED MACROCYCLIC OLIGOAMIDES UNIVERSITY OF WASHINGTON (US) 2023-07-20 WO claimed
CN-113429308-B Synthesis process of diclofenac sodium 安徽普利药业有限公司 2023-07-18 CN claimed
CN-116082213-A Preparation method of 5-cyanoindole 苏州永健生物医药有限公司 2023-05-09 CN claimed
WO-1994023767-A1 ORAL DRUG DELIVERY COMPOSITIONS AND METHODS EMISPHERE TECHNOLOGIES, INC. (US) 1994-10-27 WO claimed
EP-0591605-A2 Method for suppressing coloring of human serum albumin THE GREEN CROSS CORPORATION (JP) 1994-04-13 EP claimed
WO-1993025557-A1 PROCESS FOR THE PREPARATION OF CLAVULANIC ACID SMITHKLINE BEECHAM PLC (GB) 1993-12-23 WO claimed
EP-0538477-A1 NOVEL CYCLIC AMINOPHENYLACETIC ACID DERIVATIVE, PRODUCTION THEREOF, AND IMMUNE RESPONSE MODULATOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 1993-04-28 EP claimed
EP-0113242-B1 CEPHALOSPORIN DERIVATIVES KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1989-11-08 EP claimed
EP-0061281-B1 BIS-ESTERS OF METHANEDIOL WITH ACETONIDES OF AMPICILLIN OR AMOXICILLIN AND PENICILLANIC ACID 1,1-DIOXIDE PFIZER INC. (US) 1984-11-07 EP claimed
EP-0113242-A2 Cephalosporin derivatives KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1984-07-11 EP claimed
EP-0038641-B1 PROCESS FOR PRODUCING D-2-AMINO-2-(1,4-CYCLOHEXADIENYL) ACETIC ACID NIPPON KASEI CHEMICAL CO., LTD. (JP) 1984-04-04 EP claimed
US-4338461-A REDUCTION OF 2-AMINO-2 PHENYLACETIC ACID WITH METALLIC SODIUM IN PRESENCE OF WATER AND LIQUID AMMONIA NIPPON KASEI CHEMICAL CO., LTD. (JP) 1982-07-06 US claimed
EP-0038641-A1 Process for producing D-2-amino-2-(1,4-cyclohexadienyl) acetic acid NIPPON KASEI CHEMICAL CO., LTD. (JP) 1981-10-28 EP claimed