SCHEMBL4425538

SCHEMBL4425538

CC(=O)OCc1oc(-c2ccccc2)nc1C

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 7/20 0.53
FFAR1 O14842 1/20 0.53
VDR P11473 7/20 0.51
ALDH1A1 P00352 3/20 0.49
TSHR P16473 1/20 0.49
GAA P10253 1/20 0.49
TARBP2 Q15633 2/20 0.48
PPARG P37231 2/20 0.47
KDM4E B2RXH2 2/20 0.47
PTGS1 P23219 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ESR1 P03372 1/20 0.46
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
RXRA P19793 1/20 0.46
PPARA Q07869 1/20 0.46
ESR2 Q92731 1/20 0.46

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
SCHEMBL27505455 0.83 VDR (0.41) PPARDFFAR1VDRALDH1A1TSHR
SCHEMBL4427114 0.80 VDR (0.50) PPARDFFAR1VDRTSHRGAA
SCHEMBL3795755 0.79 KDM4E (0.63) PPARDFFAR1VDRALDH1A1GAA
SCHEMBL820909 0.79 SMN1; SMN2 (0.61) PPARDFFAR1VDRALDH1A1TSHR
SCHEMBL4426659 0.78 PPARD (0.61) PPARDFFAR1VDRALDH1A1PPARG
SCHEMBL6377222 0.77 KDM4E (0.51) PPARDFFAR1VDRGAATARBP2
SCHEMBL4427371 0.76 ALDH1A1 (0.38) PPARDVDRALDH1A1TSHRKDM4E
SCHEMBL14382241 0.75 GAA (0.47) PPARDFFAR1VDRALDH1A1TSHR
SCHEMBL820892 0.74 GAA (0.48) PPARDFFAR1VDRALDH1A1GAA
SCHEMBL2419932 0.73 ALDH1A1 (0.47) PPARDFFAR1VDRALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934311-B1 NEW HETEROCYCLYLMETHYL-SUBSTITUTED PYRAZOL DERIVATES BAYER HEALTHCARE AG (DE) 2009-05-13 EP disclosed
EP-0934311-B1 NEW HETEROCYCLYLMETHYL-SUBSTITUTED PYRAZOL DERIVATES BAYER HEALTHCARE AG (DE) 2009-05-13 EP disclosed
WO-2007065010-A2 ANTI-ANGIOGENESIS COMPOUNDS HIF BIO, INC. (US) 2007-06-07 WO disclosed
EP-1686127-A1 New heterocyclylmethyl-substituted pyrazole derivatives and their use for treating cardiovascular diseases Bayer HealthCare AG (DE) 2006-08-02 EP disclosed
US-6462068-B1 CARDIOVASCULAR DISEASES BAYER AKTIENGESELLSCHAFT (DE) 2002-10-08 US disclosed
US-6414009-B1 CARDIOVASCULAR DISORDERS; ANTICOAGULANTS BAYER AKTIENGESELLSCHAFT (DE) 2002-07-02 US disclosed
US-6410740-B1 CYCLIZATION OF THE CORRESPONDING AMIDE BAYER AKTIENGESELLSCHAFT (DE) 2002-06-25 US disclosed
US-6387940-B1 CARDIOVASCULAR DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 2002-05-14 US disclosed
US-6166027-A Heterocyclylmethyl-substituted pyrazole derivatives and their use for treating cardiovascular diseases BAYER AKTIENGESELLSCHAFT (DE) 2000-12-26 US disclosed
CN-1241188-A Heterocyclylmethyl-substed pyrazol derivs. BAYER AG (DE) 2000-01-12 CN disclosed
EP-0934311-A2 NEW HETEROCYCLYLMETHYL-SUBSTITUTED PYRAZOL DERIVATES BAYER AG (DE) 1999-08-11 EP disclosed
WO-1998016507-A2 NEW HETEROCYCLYLMETHYL-SUBSTITUTED PYRAZOL DERIVATES AND THEIR USE FOR TREATING CARDIOVASCULAR DISEASES BAYER AKTIENGESELLSCHAFT (DE) 1998-04-23 WO disclosed