SCHEMBL18540239

SCHEMBL18540239

C=CCCc1ccc(COc2ccc(-c3ccc(CCC=C)c(F)c3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.43
FFAR1 O14842 3/20 0.40
GSTP1 P09211 1/20 0.39
PTGES O14684 1/20 0.38
BCHE P06276 1/20 0.37
AKR1B1 P15121 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
APP P05067 1/20 0.37

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
SCHEMBL18540224 0.93 MAOB (0.41) MAOBFFAR1GSTP1AKR1B1FFAR4
SCHEMBL18540225 0.91 MAOB (0.40) MAOBFFAR1FFAR4
SCHEMBL18540136 0.91 RARB (0.41) MAOBFFAR1PTGESBCHE
SCHEMBL18540243 0.88 MAOB (0.45) MAOBFFAR1FFAR4
SCHEMBL18540129 0.87 S1PR1 (0.42) MAOBFFAR1GSTP1BCHEAKR1B1
SCHEMBL18540252 0.86 FFAR1 (0.50) MAOBFFAR1GSTP1BCHEFFAR4
SCHEMBL18540031 0.84 HTR2A (0.38) MAOB
SCHEMBL20803657 0.84 FFAR1 (0.47) MAOBFFAR1PTGES
SCHEMBL18540216 0.83 HTR2A (0.36) MAOB
SCHEMBL18540229 0.83 TAAR1 (0.36) MAOB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170051206-A1 LIQUID CRYSTAL COMPOUND HAVING ALKENYL ON BOTH ENDS, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2017-02-23 US disclosed
US-20170051206-A1 LIQUID CRYSTAL COMPOUND HAVING ALKENYL ON BOTH ENDS, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2017-02-23 US disclosed