SCHEMBL6535462

SCHEMBL6535462

O=C(CC(F)(F)F)OCSc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.43
ALDH1A1 P00352 4/20 0.39
LMNA P02545 1/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
HPGD P15428 1/20 0.35
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL6535141 0.81 FFAR1 (0.47) FFAR1ALDH1A1LMNARAB9ANPC1
SCHEMBL3663713 0.79 FFAR1 (0.46) FFAR1ALDH1A1LMNARAB9ANPC1
SCHEMBL27166998 0.77 FFAR1 (0.47) FFAR1ALDH1A1RAB9ANPC1MAPK1
SCHEMBL10401993 0.76 FFAR1 (0.54) FFAR1ALDH1A1LMNARAB9ANPC1
SCHEMBL9624319 0.76 ALDH1A1 (0.59) FFAR1ALDH1A1LMNARAB9AMAPK1
SCHEMBL10401991 0.74 FFAR1 (0.52) FFAR1ALDH1A1LMNARAB9ANPC1
SCHEMBL12586386 0.74 ALDH1A1 (0.61) ALDH1A1LMNAMAPK1TDP1SMN1; SMN2
SCHEMBL6248478 0.73 ALDH1A1 (0.52) FFAR1ALDH1A1RAB9ANPC1MAPK1
SCHEMBL16594277 0.72 ALDH1A1 (0.43) FFAR1ALDH1A1LMNARAB9ANPC1
SCHEMBL16104933 0.72 TDP1 (0.55) FFAR1ALDH1A1LMNARAB9ANPC1

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
EP-0958275-A4 SELECTIVE INHIBITORS OF PROSTAGLANDIN ENDOPEROXIDE SYNTHASE-2 UNIV VANDERBILT (US) 2004-12-01 EP disclosed
EP-0958275-A1 SELECTIVE INHIBITORS OF PROSTAGLANDIN ENDOPEROXIDE SYNTHASE-2 VANDERBILT UNIVERSITY (US) 1999-11-24 EP disclosed
WO-1998029382-A1 SELECTIVE INHIBITORS OF PROSTAGLANDIN ENDOPEROXIDE SYNTHASE-2 VANDERBILT UNIVERSITY (US) 1998-07-09 WO disclosed