SCHEMBL8151850

SCHEMBL8151850

Cc1ccc(-c2nc(C(F)(F)F)oc2-c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.51
RXRB P28702 4/20 0.51
HPGD P15428 3/20 0.50
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
CASP1 P29466 1/20 0.50
CYP2C19 P33261 1/20 0.50
CASP7 P55210 1/20 0.50
ATM Q13315 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 2/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL8140604 1.00 RXRA (0.51) RXRARXRBHPGDKDM4EALDH1A1
SCHEMBL8146420 0.91 NR4A2 (0.55) RXRARXRBHPGDKDM4EALDH1A1
SCHEMBL8148454 0.85 RXRA (0.51) RXRARXRBKDM4ECYP1A2CYP3A4
SCHEMBL8138755 0.84 MAPK13 (0.49) RXRARXRBHPGDKDM4EALDH1A1
SCHEMBL8148481 0.84 NOX1 (0.45) RXRARXRBKDM4EALDH1A1LMNA
SCHEMBL8140492 0.82 PTGS2 (0.59) PTGS2
SCHEMBL7502654 0.82 PTGS2 (0.67) PTGS2
SCHEMBL7504769 0.82 PTGS2 (0.67) PTGS2
SCHEMBL8549301 0.81 RXRA (0.52) RXRARXRBHPGDALDH1A1NPC1
SCHEMBL7501561 0.79 PTGS2 (0.54) CYP3A4LMNAPTGS2ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6090834-A ANALGESICS; RHEUMATIC DISORDERS; SKIN DISORDERS; GASTROINTESTINAL DISORDERS G.D. SEARLE & CO. (US) 2000-07-18 US disclosed
EP-0825989-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-03-04 EP disclosed
WO-1996036617-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-11-21 WO disclosed