SCHEMBL13586221

SCHEMBL13586221

CCCc1ccc(-c2ccc(-c3ccc(COc4ccc(C5CO5)c(F)c4F)cc3)c(F)c2F)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 2/20 0.38
▸ ALOX5AP P20292 3/20 0.32
▸ FEN1 P39748 3/20 0.32
▸ FPR2 P25090 2/20 0.32
▸ KDM1A O60341 2/20 0.31
▸ MPL P40238 1/20 0.31
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ HTR1A P08908 2/20 0.31
▸ SLC6A2 P23975 2/20 0.31
▸ SLC6A4 P31645 2/20 0.31
▸ SLC6A3 Q01959 2/20 0.31
▸ MAPK1 P28482 1/20 0.30
▸ S1PR1 P21453 1/20 0.30
▸ MRGPRX4 Q96LA9 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
SCHEMBL12821314 1.00 FFAR4 (0.38) FFAR4ALOX5APFEN1FPR2KDM1A
SCHEMBL12822902 0.91 FEN1 (0.35) FFAR4ALOX5APFEN1FPR2KDM1A
SCHEMBL12823856 0.91 FEN1 (0.35) FFAR4ALOX5APFEN1FPR2KDM1A
SCHEMBL12717209 0.91 FFAR4 (0.37) FFAR4FPR2KDM1AMPLNPC1
SCHEMBL13654004 0.90 S1PR5 (0.36) FFAR4KDM1ANPC1RAB9ASMN1; SMN2
SCHEMBL12908112 0.89 MRGPRX4 (0.40) FFAR4ALOX5APFEN1FPR2MAPK1
SCHEMBL3582651 0.88 MPL (0.36) MPLS1PR1
SCHEMBL12994783 0.88 FFAR4 (0.35) FFAR4ALOX5APFEN1FPR2KDM1A
SCHEMBL3582636 0.87 MPL (0.35) MPLS1PR1
SCHEMBL12823910 0.87 SYK (0.39) HTR1A

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-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 — — WO disclosed
Send feedback