SCHEMBL9470304

SCHEMBL9470304

CCCCCCCOc1ccc(C#Cc2ccc(F)c(F)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.50
TP53 P04637 2/20 0.45
TSHR P16473 2/20 0.45
LTA4H P09960 3/20 0.45
PLA2G4B P0C869 1/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RARB P10826 3/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
RAB9A P51151 1/20 0.42
HSD17B10 Q99714 1/20 0.42
FAAH O00519 2/20 0.41

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
SCHEMBL9470078 1.00 NR5A1 (0.50) NR5A1TP53TSHRLTA4HPLA2G4B
SCHEMBL9469736 1.00 NR5A1 (0.50) NR5A1TP53TSHRLTA4HPLA2G4B
SCHEMBL9469758 1.00 NR5A1 (0.50) NR5A1TP53TSHRLTA4HPLA2G4B
SCHEMBL9469637 0.98 NR5A1 (0.47) NR5A1TP53TSHRLTA4HPLA2G4B
SCHEMBL9470533 0.95 GRM5 (0.44) NR5A1TSHRLTA4HHTTRARB
SCHEMBL9469740 0.89 ACACB (0.46) LTA4H
SCHEMBL9470334 0.88 NR5A1 (0.54) NR5A1TP53TSHRLTA4HPLA2G4B
SCHEMBL9470079 0.88 NR5A1 (0.54) NR5A1TP53TSHRLTA4HPLA2G4B
SCHEMBL9469759 0.88 NR5A1 (0.54) NR5A1TP53TSHRLTA4HPLA2G4B
SCHEMBL9470514 0.88 NR5A1 (0.54) NR5A1TP53TSHRLTA4HPLA2G4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5242618-A Liquid crystals MERCK PATENT GESELLSCHAFT (DE) 1993-09-07 US disclosed