SCHEMBL186853

SCHEMBL186853

Cc1cc(-c2ccn(-c3ccc(C(F)(F)F)cc3)c2)ccc1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRB P28702 4/20 0.64
RXRA P19793 3/20 0.64
RXRG P48443 2/20 0.41
CYP2C8 P10632 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
P2RY14 Q15391 3/20 0.39
OPRD1 P41143 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
ACLY P53396 1/20 0.39
USP2 O75604 1/20 0.39
CYP2C19 P33261 1/20 0.39
ADH5 P11766 2/20 0.38
RARB P10826 1/20 0.38

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
SCHEMBL14089899 0.83 RXRB (0.79) RXRBRXRARXRGCYP2C8PPARD
SCHEMBL182127 0.82 RXRA (0.56) RXRBRXRARXRGCYP2C8P2RY14
SCHEMBL181903 0.78 MEN1 (0.53) RXRBRXRAP2RY14OPRD1SIGMAR1
SCHEMBL10224487 0.76 RXRB (0.78) RXRBRXRARXRGKDM4EALDH1A1
SCHEMBL28696810 0.75 RXRB (0.53) RXRBRXRACYP2C8PPARDPPARA
SCHEMBL182128 0.75 HTT (0.49) ALDH1A1
SCHEMBL424990 0.75 RXRB (0.70) RXRBRXRAKDM4EALDH1A1HPGD
Hydrogen Sulfide SCHEMBL27780391 0.73 RXRB (0.68) RXRBRXRAKDM4EALDH1A1HPGD
SCHEMBL3376888 0.73 RXRB (0.64) RXRBRXRARXRGCYP2C8PPARD
SCHEMBL29771992 0.72 RXRB (0.70) RXRBRXRAKDM4ERARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051342-B2 Pyrazole or triazole compounds and their use for the manufacture of a medicament for treating somatic mutation related diseases PTC THERAPEUTICS, INC. (US) 2015-06-09 US disclosed
EP-2402323-A2 Pyrazole or triazole compounds and their use for the manufacture of a medicament for treating somatic mutation-related diseases PTC Therapeutics, Inc. (US) 2012-01-04 EP disclosed
EP-2363129-A1 Pyrazole or triazole compounds and their use for the manufacture of a medicament for treating somatic mutation-related diseases PTC Therapeutics, Inc. (US) 2011-09-07 EP disclosed
EP-2316452-A1 Pyrrol derivatives, uses thereof PTC Therapeutics, Inc. (US) 2011-05-04 EP disclosed
EP-1799207-A2 PYRAZOLE OR TRIAZOLE COMPOUNDS AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES PTC Therapeutics, Inc. (US) 2007-06-27 EP disclosed
WO-2006044502-A2 PYRAZOLE OR TRIAZOLE COMPOUNDS AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES PTC THERAPEUTICS, INC. (US) 2006-04-27 WO disclosed