SCHEMBL2569812

SCHEMBL2569812

CC(=O)C(CCc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
TSHR P16473 1/20 0.51
MMP8 P22894 2/20 0.50
MEN1 O00255 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HPGD P15428 1/20 0.49
CNR2 P34972 1/20 0.47
ALPI P09923 1/20 0.47
PKM P14618 1/20 0.47
PTGS1 P23219 1/20 0.47
XIAP P98170 1/20 0.47
SLC7A5 Q01650 1/20 0.47
KEAP1 Q14145 1/20 0.47
ANPEP P15144 2/20 0.46
ERAP1 Q9NZ08 2/20 0.46
ERAP2 Q6P179 1/20 0.46
CYP1A2 P05177 1/20 0.45

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
SCHEMBL6695161 0.94 ALDH1A1 (0.55) ALDH1A1TSHRMMP8MEN1HTT
SCHEMBL6190214 0.89 GRIK1 (0.53) ALDH1A1MMP8KMT2ASMN1; SMN2HPGD
SCHEMBL2291948 0.87 MMP8 (0.56) ALDH1A1TSHRMMP8SMN1; SMN2CNR2
SCHEMBL18424616 0.87 ALDH1A1 (0.48) ALDH1A1TSHRMMP8MEN1HTT
SCHEMBL10941524 0.85 MAPT (0.53) ALDH1A1SMN1; SMN2
SCHEMBL10949576 0.85 MAPT (0.53) ALDH1A1SMN1; SMN2
SCHEMBL10942050 0.85 MAPT (0.53) ALDH1A1SMN1; SMN2
SCHEMBL6684391 0.85 ALDH1A1 (0.50) ALDH1A1TSHRMMP8MEN1HTT
SCHEMBL7098205 0.85 ALDH1A1 (0.50) ALDH1A1TSHRMMP8MEN1HTT
SCHEMBL10755011 0.85 SLC7A5 (0.50) MEN1KMT2ASLC7A5ANPEPERAP1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2308829-B1 A PROCESS FOR PREPARING R-BETA-AMINO PHENYLBUTYRIC ACID DERIVATIVES JIANGSU HENGRUI MEDICINE CO (CN) 2017-06-14 EP claimed
CN-114040775-A Targeted active gene editing agents and methods of use 光点治疗公司 2022-02-11 CN disclosed
CN-114026123-A Targeted active gene editing agents and methods of use 光点治疗公司 2022-02-08 CN disclosed
EP-2382205-B1 DERIVATIVES OF 2-PYRIDIN-2-YL-PYRAZOL-3(2H)-ONE, PREPARATION AND THERAPEUTIC USE THEREOF AS HIF ACTIVATORS SANOFI SA (FR) 2014-04-23 EP disclosed
EP-2382205-A2 DERIVATIVES OF 2-PYRIDIN-2-YL-PYRAZOL-3(2H)-ONE, PREPARATION AND THERAPEUTIC USE THEREOF AS HIF ACTIVATORS SANOFI (FR) 2011-11-02 EP disclosed
WO-2010076524-A2 DERIVATIVES OF 2-PYRIDIN-2-YL-PYRAZOL-3(2H)-ONE, PREPARATION AND THERAPEUTIC USE THEREOF AS HIF ACTIVATORS SANOFI-AVENTIS (FR) 2010-07-08 WO disclosed
US-6348617-B1 REACTING PYRUVIC ACID COMPOUND IN WATER WITH AMMONIUM OR ALKALI METAL BISULFITE TO GIVE AQUEOUS SOLUTION OF BISULFITE ADDUCT, ISOLATING BY PHASE SEPARATION, OPTIONALLY USING HYDROPHOBIC SOLVENT, CONTACTING WITH ACID TO DECOMPOSE ADDUCT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-02-19 US disclosed
EP-0937703-A1 METHOD FOR PURIFYING PYRUVIC ACID COMPOUNDS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1999-08-25 EP disclosed
US-5597848-A PLATELET AGGREGATION INHIBITORS, ANTITHROMBOTIC AGENTS, ANTIASTHMATIC AGENTS, ANTIALLERGIC AGENTS HOKURIKU SEIYAKU CO., LTD. (JP) 1997-01-28 US disclosed
EP-0699209-A1 PROCESSES AND INTERMEDIATE COMPOUNDS USEFUL FOR THE PREPARATION OF PLATELET GLYCOPROTEIN IIb/IIIa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-03-06 EP disclosed
WO-1994026779-A1 PROCESSES AND INTERMEDIATE COMPOUNDS USEFUL FOR THE PREPARATION OF PLATELET GLYCOPROTEIN IIb/IIIa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-11-24 WO disclosed
EP-0090516-A1 Substituted hexahydropyrrolo(1,2-a)-quinoline, hexahydro-1H-pyrido(1,2-a)-quinoline, hexahydrobenzo(3)indene and octahydrophenanthrene CNS agents PFIZER INC. (US) 1983-10-05 EP disclosed
EP-0061684-A1 Urea compounds as antihypertensives MERCK & CO. INC. (US) 1982-10-06 EP disclosed
US-4179564-A 1,5,6,11-Tetrahydro[5,6]cyclohepta[1,2-b]pyrazolo[4,3-e]pyridine derivatives E. R. SQUIBB & SONS, INC. (US) 1979-12-18 US disclosed
US-4128717-A Derivatives of 5,6-dihydrobenzo[5,6]cyclohepta[1,2-B]pyrazolo-[4,3-E]pyridin-11 (1H)-ones and 11 (1H)-imines E. R. SQUIBB & SONS, INC. (US) 1978-12-05 US disclosed
US-4111940-A ANTIINFLAMMATORY, PSYCHOTROPIC E. R. SQUIBB & SONS, INC. (US) 1978-09-05 US disclosed
US-4062858-A Derivatives of 5,6-dihydrobenzo[5,6]cyclohepta[1,2-b]pyrazolo[4,3-e]pyridin-11(1H)-ones and 11(1H)-imines E. R. SQUIBB & SONS, INC. (US) 1977-12-13 US disclosed