SCHEMBL8030985

SCHEMBL8030985

CCCCCCCCCCCCCCOc1ccc(CC#N)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.56
HPGD P15428 3/20 0.51
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TP53 P04637 2/20 0.50
LTA4H P09960 2/20 0.50
TSHR P16473 1/20 0.50
PLA2G4B P0C869 2/20 0.49
MMP2 P08253 1/20 0.48
MMP3 P08254 1/20 0.48
MMP9 P14780 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
SCHEMBL5449074 1.00 NR5A1 (0.56) NR5A1HPGDKDM4EALDH1A1NPC1
SCHEMBL5441253 1.00 NR5A1 (0.56) NR5A1HPGDKDM4EALDH1A1NPC1
SCHEMBL23648812 1.00 NR5A1 (0.56) NR5A1HPGDKDM4EALDH1A1NPC1
SCHEMBL9523100 1.00 NR5A1 (0.56) NR5A1HPGDKDM4EALDH1A1NPC1
SCHEMBL10900013 0.95 HPGD (0.55) NR5A1HPGDKDM4EALDH1A1NPC1
SCHEMBL10899112 0.95 HPGD (0.55) NR5A1HPGDKDM4EALDH1A1NPC1
SCHEMBL10898783 0.95 HPGD (0.55) NR5A1HPGDKDM4EALDH1A1NPC1
SCHEMBL1823685 0.95 LTA4H (0.48) NR5A1KDM4ELTA4HTSHR
SCHEMBL10900140 0.93 HPGD (0.52) NR5A1HPGDKDM4EALDH1A1NPC1
SCHEMBL9570661 0.91 HRH3 (0.44) NR5A1

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
WO-2000071118-A1 PHOSPHOLIPASE A2-SPECIFIC INHIBITING COMPOUNDS UNIVERSITE PARIS 7 - DENIS DIDEROT (FR) 2000-11-30 WO disclosed