SCHEMBL20647290

SCHEMBL20647290

CCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(CCCC)cc5F)s4)c4nsnc34)c(F)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 5/20 0.40
▸ RARA P10276 1/20 0.40
▸ RARG P13631 1/20 0.40
▸ MAPT P10636 1/20 0.34
▸ RAB9A P51151 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ EIF4A1 P60842 2/20 0.32
▸ MPL P40238 7/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ HSD11B1 P28845 1/20 0.31
▸ PCSK9 Q8NBP7 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ NFKB1 P19838 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ NFKB2 Q00653 1/20 0.30
▸ RELA Q04206 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL17694342 0.97 RARB (0.44) RARBRARARARGMAPTRAB9A
SCHEMBL22268268 0.90 S1PR1 (0.42) RARBRARARARGMAPTRAB9A
SCHEMBL17694324 0.89 RARB (0.39) RARBRARARARGRAB9AKDM4E
SCHEMBL17694315 0.87 RARB (0.40) RARBRARARARGRAB9AKDM4E
SCHEMBL17694316 0.86 RARB (0.42) RARBRARARARGRAB9AKDM4E
SCHEMBL17694346 0.86 RARB (0.39) RARBRARARARGRAB9AKDM4E
SCHEMBL16265324 0.86 RARB (0.52) RARBRARARARGMAPTRAB9A
SCHEMBL18464808 0.85 NPC1 (0.39) RARBRAB9AESR1ESR2PCSK9
SCHEMBL17694321 0.85 RARB (0.39) RARBRARARARGRAB9AKDM4E
SCHEMBL17694322 0.85 RARB (0.38) RARBRARARARGRAB9AKDM4E

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-20190016955-A1 LIQUID-CRYSTALLINE MIXTURES MERCK PATENT GMBH (DE) 2019-01-17 — — US disclosed
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