SCHEMBL7896006

SCHEMBL7896006

CCOc1cc(CC#N)ccc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
HSD17B10 Q99714 1/20 0.45
KMT2A Q03164 1/20 0.45
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
KDM4E B2RXH2 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
POLB P06746 1/20 0.43
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
CYP3A4 P08684 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
SLC22A1 O15245 1/20 0.40
ABCC3 O15438 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
SCHEMBL5164025 0.87 TDP1 (0.47) TSHRHSD17B10KMT2AKDM4EALOX15
SCHEMBL6226460 0.85 PPARG (0.57) TSHRHSD17B10KMT2APPARGPPARA
SCHEMBL28877560 0.83 FOLH1 (0.53) KMT2AKDM4EPOLBALDH1A1L3MBTL1
SCHEMBL7791924 0.83 TSHR (0.51) TSHRHSD17B10KMT2APPARGPPARA
SCHEMBL4601005 0.81 PTPN11 (0.53) TSHRHSD17B10KMT2AADRB1ADRB3
SCHEMBL4005109 0.80 FOLH1 (0.52) TSHRHSD17B10KMT2APPARGPPARA
SCHEMBL3225523 0.80 TSHR (0.51) TSHRHSD17B10KMT2APPARGPPARA
SCHEMBL7605944 0.80 TSHR (0.53) TSHRHSD17B10KMT2APPARGPPARA
SCHEMBL2967916 0.79 CALM1 (0.45) TSHRHSD17B10KMT2AKDM4EPOLB
Hydrochloric Acid SCHEMBL8574910 0.79 TSHR (0.47) TSHRHSD17B10KMT2APPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE37035-E1 HYPOGLYCEMIC AGENTS BOEHRINGER INGELHEIM KG (DE) 2001-01-30 US disclosed
US-6143769-A ENANTIOMORPH KARL THOMAE GMBH (DE) 2000-11-07 US disclosed
US-5312924-A Compounds for lowering blood sugar and effecting metabolism DR. KARL THOMAE GMBH (DE) 1994-05-17 US disclosed
US-5216167-A Hypoglycemic agents DR. KARL THOMAE GMBH (DE) 1993-06-01 US disclosed
EP-0147850-B1 PHENYLACETIC-ACID DERIVATIVES, MEDICINES CONTAINING THESE COMPOUNDS AND PROCESS FOR THEIR PREPARATION Dr. Karl Thomae GmbH (DE) 1989-06-14 EP disclosed
EP-0147850-A2 Phenylacetic-acid derivatives, medicines containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1985-07-10 EP disclosed
US-4221815-A HYPOGLYCEMIC AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1980-09-09 US disclosed