SCHEMBL9502798

SCHEMBL9502798

[CH2]c1ccc(Oc2ccc(CCCC)cc2C)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.47
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CYP4Z1 Q86W10 1/20 0.39
CYP4F11 Q9HBI6 1/20 0.39
CYP4F12 Q9HCS2 1/20 0.39

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
SCHEMBL8578378 0.85 SKP2 (0.55) SKP2
SCHEMBL10733889 0.85 SKP2 (0.47) SKP2NPC1HPGDMAPK1HTT
SCHEMBL13663812 0.76 SKP2 (0.58) SKP2NPC1HPGDMAPK1HTT
SCHEMBL8415231 0.76 CYP19A1 (0.45) SKP2RAB9A
SCHEMBL9502793 0.76 ACACB (0.44) RAB9A
SCHEMBL2090838 0.74 SLC6A4 (0.40)
SCHEMBL97681 0.73 CA2 (0.54) SKP2HPGDCYP3A4
SCHEMBL12593194 0.71 SKP2 (0.39) SKP2NPC1HPGDRAB9A
SCHEMBL12593180 0.71 ICAM1 (0.44) SKP2
SCHEMBL12856182 0.71 PPARG (0.55) SKP2HPGDMAPK1HTT

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
EP-0186190-B1 BENZIMIDAZOLE DERIVATIVES, AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-05-26 EP disclosed