SCHEMBL6161989

SCHEMBL6161989

CC(Sc1c(F)c(F)nc(F)c1F)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 3/20 0.44
RXFP1 Q9HBX9 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
PRNP P04156 2/20 0.44
MAPK10 P53779 1/20 0.44
HSD17B10 Q99714 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
PPARA Q07869 5/20 0.35
TYMP P19971 1/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL6166784 0.74
SCHEMBL15583393 0.72 KDM4E (0.70) KDM4ELMNAALDH1A1RXFP1NPSR1
SCHEMBL11024816 0.68 ALDH1A1 (0.44) KDM4ELMNAALDH1A1RXFP1NPSR1
SCHEMBL6164956 0.67 KIF11 (0.37) ALDH1A1HSD17B10
SCHEMBL19876885 0.67 MEN1 (0.35) KDM4ELMNAALDH1A1HSD17B10SMN1; SMN2
SCHEMBL16543222 0.64 KDM4E (0.59) KDM4ELMNAALDH1A1RXFP1NPSR1
SCHEMBL10829734 0.63 TYMP (0.43) KDM4ELMNAALDH1A1RXFP1NPSR1
SCHEMBL6161347 0.63 CA12 (0.56) LMNAALDH1A1RXFP1NPSR1PRNP
SCHEMBL10691578 0.63 ALDH1A1 (0.63) KDM4ELMNAALDH1A1HSD17B10SMN1; SMN2
SCHEMBL24890374 0.61 KDM4E (0.35) KDM4EALDH1A1HSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934310-B1 THIO ACID DERIVED MONOCYCLIC N-HETEROCYCLICS AS ANTICOAGULANTS SCHERING AG (DE) 2005-02-09 EP disclosed
US-6221886-B1 Thio acid derived monocyclic N-heterocyclics as anticoagulants BERLEX LABORATORIES, INC. 2001-04-24 US disclosed
US-6166014-A Thio acid derived monocyclic N-heterocyclics as anticoagulants BERLEX LABORATORIES, INC. (US) 2000-12-26 US disclosed
US-6162807-A Thio acid derived monocyclic N-heterocyclics as anticoagulants BERLEX LABORATORIES, INC. (US) 2000-12-19 US disclosed
US-6150382-A ENZYME INHIBITORS OF BLOOD COAGULATION FACTOR XA, A SERINE PROTEASE CLASS OF ENZYMES; E.G., 4-HYDROXY-3-((4-(2-CARBOXY-METHYL)THIO-6-(3-(1-METHYL)-6-(3-(1 -METHYL)IMIDAZOLIN-2-YL)-PHENOXY-3,5-DIFLUOROPYRIDINE AND DERIVATIVES BERLEX LABORATORIES, INC. (US) 2000-11-21 US disclosed
US-6034084-A CARDIOVASCULAR DISORDERS BERLEX LABORATORIES, INC. (US) 2000-03-07 US disclosed
US-6004985-A BLOOD-COAGULATION FACTOR XA INHIBITORS BERLEX LABORATORIES, INC. (US) 1999-12-21 US disclosed
EP-0934310-A1 THIO ACID DERIVED MONOCYCLIC $i(N)-HETEROCYCLICS AS ANTICOAGULANTS SCHERING AKTIENGESELLSCHAFT (DE) 1999-08-11 EP disclosed
WO-1998015547-A1 THIO ACID DERIVED MONOCYCLIC N-HETEROCYCLICS AS ANTICOAGULANTS SCHERING AKTIENGESELLSCHAFT (DE) 1998-04-16 WO disclosed