SCHEMBL18286382

SCHEMBL18286382

CCCc1ccc(-c2ccc(N(c3ccc(-c4c(C)cc(C)cc4C)cc3)c3ccc(C)c(C)c3)cc2C)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.38
FFAR4 Q5NUL3 1/20 0.36
S1PR1 P21453 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MCL1 Q07820 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.30
PTGER4 P35408 1/20 0.30
NISCH Q9Y2I1 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL18286395 0.93 RARB (0.36) RARBFFAR4MEN1ALDH1A1MAPT
SCHEMBL14825140 0.93 RARB (0.38) RARBFFAR4MEN1ALDH1A1MAPT
SCHEMBL18286394 0.88 RARB (0.40) RARBFFAR4S1PR1MAPTMCL1
SCHEMBL18286368 0.87 HSD17B1 (0.33) S1PR1MEN1ALDH1A1MAPTKMT2A
SCHEMBL12072375 0.83 RARB (0.36) RARBMEN1ALDH1A1MAPTKMT2A
SCHEMBL12071277 0.83 RARB (0.36) RARBMEN1ALDH1A1MAPTKMT2A
SCHEMBL13868118 0.82 MCL1 (0.43) RARBFFAR4S1PR1MEN1ALDH1A1
SCHEMBL11887115 0.82 MCL1 (0.43) RARBFFAR4S1PR1MEN1ALDH1A1
SCHEMBL12069774 0.82 RARB (0.36) RARBMEN1ALDH1A1MAPTKMT2A
SCHEMBL18286377 0.81 MCL1 (0.40) RARBFFAR4S1PR1ALDH1A1MAPT

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-9515267-B2 Electroactive materials EI DU PONT DE NEMOURS AND COMPANY (US) 2016-12-06 US disclosed