SCHEMBL18540260

SCHEMBL18540260

C=CCCc1ccc(CCc2ccc(-c3ccc(CC/C=C/C)cc3)cc2)c(F)c1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
FFAR1 O14842 2/20 0.31
FFAR4 Q5NUL3 2/20 0.31
MAOB P27338 1/20 0.30
TAAR1 Q96RJ0 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
SCHEMBL18540265 0.90 MAOB (0.34) HTR2AHTR2CFFAR1FFAR4MAOB
SCHEMBL18540221 0.89 HTR2A (0.35) HTR2AHTR2CFFAR1FFAR4MAOB
SCHEMBL18540056 0.89 HTR2A (0.39) HTR2AHTR2CFFAR1FFAR4
SCHEMBL18540259 0.87 RARB (0.39) FFAR1FFAR4TAAR1
SCHEMBL18540138 0.87 RARB (0.37)
SCHEMBL18540216 0.86 HTR2A (0.36) HTR2AHTR2CMAOBTAAR1
SCHEMBL18540270 0.85 RARB (0.36) HTR2A
SCHEMBL18540256 0.85 RARB (0.37) FFAR1FFAR4MAOBTAAR1
SCHEMBL18540271 0.85 TAAR1 (0.36) HTR2AHTR2CFFAR1FFAR4MAOB
SCHEMBL18540200 0.85 RARB (0.36) FFAR1FFAR4

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 3 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
US-9120795-B2 Crystalline form of a β-lactamase inhibitor CUBIST PHARMACEUTICALS, INC. (US) 2015-09-01 US disclosed