SCHEMBL21594498

SCHEMBL21594498

CCCCCCc1ccc2c(c1)c1cc(CCCCCC)ccc1n2-c1ccc(/C=C/c2ccc(/C=C/c3ccc(-c4ccc(C)cc4)cc3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORA P35398 1/20 0.41
RORC P51449 1/20 0.41
RORB Q92753 1/20 0.41
ICMT O60725 3/20 0.39
AKR1C4 P17516 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38
TRPM2 O94759 2/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ATM Q13315 1/20 0.37
RARB P10826 5/20 0.37
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 2/20 0.36
FAAH O00519 1/20 0.36
MGLL Q99685 1/20 0.36
MEN1 O00255 1/20 0.36
RARA P10276 1/20 0.36

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
SCHEMBL21594505 0.97 RORA (0.41) RORARORCRORBICMTAKR1C4
SCHEMBL21594436 0.96 RORA (0.44) RORARORCRORBTRPM2NPC1
SCHEMBL23822841 0.96 RORA (0.44) RORARORCRORBTRPM2NPC1
SCHEMBL21594316 0.95 RORA (0.44) RORARORCRORBNPC1RAB9A
SCHEMBL21594433 0.95 RORA (0.44) RORARORCRORBNPC1RAB9A
SCHEMBL21594506 0.95 RORA (0.44) RORARORCRORBNPC1RAB9A
SCHEMBL13323477 0.89 RORA (0.45) RORARORCRORBNPC1RAB9A
SCHEMBL23821797 0.89 RORA (0.40) RORARORCRORBNPC1RAB9A
SCHEMBL21311144 0.88 RORA (0.50) RORARORCRORBRARBTSHR
SCHEMBL21594496 0.86 RORA (0.46) RORARORCRORBFAAHMGLL

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-2019238532-A1 OPTICAL DATA COMMUNICATION SYSTEM COMPRISING PARA-PHENYLENEVINYLENES AND SPECIFIC PARA-PHENYLENEVINYLENES BASF SE (DE) 2019-12-19 WO disclosed