SCHEMBL2558366

SCHEMBL2558366

CN(C)c1ccccc1CC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.55
TDP1 Q9NUW8 1/20 0.48
MAPT P10636 2/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
GAA P10253 1/20 0.48
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
PTGS2 P35354 3/20 0.44
BCAT2 O15382 1/20 0.43
CXCL8 P10145 5/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
PTGS1 P23219 2/20 0.41
TACR1 P25103 2/20 0.41
AKR1B10 O60218 1/20 0.40
UGT1A9 O60656 1/20 0.40
TRPA1 O75762 1/20 0.40

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
SCHEMBL11112921 0.85 AKR1B1 (0.52) AKR1B1TDP1MAPTRXRARXRB
SCHEMBL28215681 0.85 ALDH1A1 (0.46) AKR1B1MAPTALDH1A1TP53GAA
SCHEMBL3329126 0.84 GAA (0.48) AKR1B1TDP1MAPTALDH1A1TP53
SCHEMBL27843772 0.83 KMT2A (0.49) TDP1MAPTALDH1A1TP53GAA
SCHEMBL28473340 0.83 AKR1B1 (0.46) AKR1B1TDP1MAPTALDH1A1TP53
SCHEMBL2500577 0.82 GAA (0.47) AKR1B1MAPTALDH1A1TP53GAA
SCHEMBL31644190 0.82 TDP1 (0.56) AKR1B1TDP1MAPTALDH1A1TP53
SCHEMBL5698045 0.81 KEAP1 (0.48) TDP1MAPTALDH1A1TP53GAA
SCHEMBL9515865 0.81 AKR1B1 (0.52) AKR1B1TDP1MAPTALDH1A1TSHR
SCHEMBL6639953 0.79 KDM4E (0.44) TDP1MAPTALDH1A1TP53GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111777520-B Synthesis method of multi-substituted dimethylamino phenyl acetic acid compound 苏州爱玛特生物科技有限公司 2023-04-07 CN claimed
CN-111777520-A Synthesis method of multi-substituted dimethylamino phenyl acetic acid compound 苏州爱玛特生物科技有限公司 2020-10-16 CN claimed
CN-112574061-B TRPV1 agonist and preparation method and application thereof 南京清普生物科技有限公司 2023-05-19 CN disclosed
CN-111777520-B Synthesis method of multi-substituted dimethylamino phenyl acetic acid compound 苏州爱玛特生物科技有限公司 2023-04-07 CN disclosed
CN-111777520-B Synthesis method of multi-substituted dimethylamino phenyl acetic acid compound 苏州爱玛特生物科技有限公司 2023-04-07 CN disclosed
CN-111777520-B Synthesis method of multi-substituted dimethylamino phenyl acetic acid compound 苏州爱玛特生物科技有限公司 2023-04-07 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3020717-B1 P2X4 RECEPTOR ANTAGONIST NIPPON CHEMIPHAR CO (JP) 2021-12-15 EP disclosed
CN-111777520-A Synthesis method of multi-substituted dimethylamino phenyl acetic acid compound 苏州爱玛特生物科技有限公司 2020-10-16 CN disclosed
CN-111777520-A Synthesis method of multi-substituted dimethylamino phenyl acetic acid compound 苏州爱玛特生物科技有限公司 2020-10-16 CN disclosed
US-5624950-A USEFUL IN TREATMENT OF ANALGESIA, INFLAMMATION, ASTHMA, ALLERGIES, CENTRAL NERVOUS SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS, IMMUNE SYSTEM DISORDERS, ANTISPASMODIC AGENTS, ANTIEMETIC AGENTS RHONE-POULENC RORER S.A. (FR) 1997-04-29 US disclosed
EP-0758013-A1 Liquid crystalline optical film, compensating film for liquid crystal display and liquid crystal display NIPPON OIL COMPANY, LIMITED (JP) 1997-02-12 EP disclosed
US-5508433-A Derivatives of perhydroisoindole and preparation thereof RHONE-POULENC RORER S.A. (FR) 1996-04-16 US disclosed
US-5484942-A Thiopyranopyrrole derivatives RHONE-POULENC RORER S.A. (FR) 1996-01-16 US disclosed
US-5484804-A Perhydroisoindole derivatives as antagonists of substance P RHONE-POULENC RORER S.A. (FR) 1996-01-16 US disclosed
US-5463077-A Exhibit substance P antagonist activity RHONE-POULENC RORER S.A. (FR) 1995-10-31 US disclosed
US-5451601-A Perhydroisoindole derivatives and pharmaceutical compositions containing them RHONE-POULENC RORER S.A. (FR) 1995-09-19 US disclosed
US-5112988-A ISOINDOLONE DERIVATIVES RHONE-POULENC SANTE (FR) 1992-05-12 US disclosed
US-5102667-A Antiallergens, antiinflammatory agents, nervous system disorders, immunology, psychological disorders RHONE-POULENC SANTE (FR) 1992-04-07 US disclosed