SCHEMBL96452

SCHEMBL96452

O=CC1OCCc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
KMT2A Q03164 4/20 0.44
LMNA P02545 1/20 0.44
RAB9A P51151 4/20 0.41
TSHR P16473 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
RECQL P46063 2/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 2/20 0.39
BLM P54132 2/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ACP3 P15309 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TAAR1 Q96RJ0 2/20 0.37
XBP1 P17861 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL29954879 1.00 ALDH1A1 (0.44) ALDH1A1KMT2ALMNARAB9ATSHR
SCHEMBL20906565 0.81 ALDH1A1 (0.48) ALDH1A1KMT2ALMNARAB9ATSHR
SCHEMBL20906600 0.81 ALDH1A1 (0.48) ALDH1A1KMT2ALMNARAB9ATSHR
SCHEMBL20906609 0.81 ALDH1A1 (0.48) ALDH1A1KMT2ALMNARAB9ATSHR
SCHEMBL31208338 0.81 ALDH1A1 (0.48) ALDH1A1KMT2ALMNARAB9ATSHR
SCHEMBL2653892 0.81 SLC6A2 (0.34) LMNARAB9ASMN1; SMN2ACP3CYP2D6
SCHEMBL27754818 0.79 SLC6A2 (0.33) LMNARAB9ASMN1; SMN2ACP3CYP2D6
SCHEMBL27952713 0.79 CAMK2A (0.44)
SCHEMBL27731335 0.77 ESR1 (0.40)
SCHEMBL27726703 0.76 CASP1 (0.35) LMNAGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118754890-A Isochroman spiro pyrazolone compound and preparation method thereof 天津科技大学 2024-10-11 CN claimed
CN-118344324-A Isochroman-1-ketone compound, preparation method and application thereof 江苏海洋大学 2024-07-16 CN claimed
CN-115611693-B Method for catalytic synthesis of isochroman-1-one or aromatic ketone compound 常州大学 2023-11-28 CN claimed
CN-115611693-A Method for catalytically synthesizing isochroman-1-ketone or aromatic ketone compounds 常州大学 2023-01-17 CN claimed
EP-0469887-B1 Acetamide derivatives ZENECA LTD (GB) 1994-12-14 EP claimed
EP-0469887-A1 Acetamide derivatives ZENECA LIMITED (GB) 1992-02-05 EP claimed
CN-119638084-A Method for promoting anaerobic denitrification by using electroactive bacteria 广东省科学院微生物研究所(广东省微生物分析检测中心) 2025-03-18 CN disclosed
CN-118344324-A Isochroman-1-ketone compound, preparation method and application thereof 江苏海洋大学 2024-07-16 CN disclosed
CN-118344324-A Isochroman-1-ketone compound, preparation method and application thereof 江苏海洋大学 2024-07-16 CN disclosed
CN-118344324-A Isochroman-1-ketone compound, preparation method and application thereof 江苏海洋大学 2024-07-16 CN disclosed
CN-117752668-A Application of ginsenoside Rf in preparation of medicament for treating metabolic syndrome 广东省中医院(广州中医药大学第二附属医院、广州中医药大学第二临床医学院、广东省中医药科学院) 2024-03-26 CN disclosed
CN-117625598-A Tobacco drought response gene NtPMT2 and application thereof 中国烟草总公司湖南省公司 2024-03-01 CN disclosed
CN-115611693-B Method for catalytic synthesis of isochroman-1-one or aromatic ketone compound 常州大学 2023-11-28 CN disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 WO disclosed
US-5430060-A Aldose reductase inhibitor ZENECA LIMITED (GB) 1995-07-04 US disclosed
EP-0629212-A1 NEW ANTICOAGULANT PEPTIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS WELL AS A PROCESS FOR THE PREPARATION THEREOF. GYOGYSZERKUTATO INTEZET (HU) 1994-12-21 EP disclosed
EP-0469887-B1 Acetamide derivatives ZENECA LTD (GB) 1994-12-14 EP disclosed
US-5270342-A Acetamide derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-12-14 US disclosed
WO-1993018060-A1 NEW ANTICOAGULANT PEPTIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS WELL AS A PROCESS FOR THE PREPARATION THEREOF Gyógyszerkutató Intézet Kft. (HU) 1993-09-16 WO disclosed
EP-0469887-A1 Acetamide derivatives ZENECA LIMITED (GB) 1992-02-05 EP disclosed