SCHEMBL7861607

SCHEMBL7861607

CCCc1ccc(C#Cc2ccc(C#Cc3ccc(C)cc3)cc2)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.51
FFAR4 Q5NUL3 1/20 0.51
ACACB O00763 5/20 0.40
KCNH2 Q12809 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP2A6 P11509 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
GRM5 P41594 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL8979020 0.93 FFAR1 (0.44) FFAR1FFAR4ACACBCYP1A2CYP2A6
SCHEMBL8979067 0.93 FFAR1 (0.44) FFAR1FFAR4ACACBCYP1A2CYP2A6
SCHEMBL7859826 0.92 FFAR1 (0.55) FFAR1FFAR4ACACBCNR1CNR2
SCHEMBL7861809 0.91 FFAR1 (0.49) FFAR1FFAR4ACACBKCNH2
SCHEMBL7861704 0.91 FFAR1 (0.47) FFAR1FFAR4ACACB
SCHEMBL7859893 0.90 FFAR1 (0.48) FFAR1FFAR4ACACBKCNH2
SCHEMBL8978969 0.89 FFAR1 (0.46) FFAR1FFAR4ACACBKCNH2CYP1A2
SCHEMBL7858585 0.89 FFAR1 (0.52) FFAR1FFAR4ACACB
SCHEMBL7858754 0.89 FFAR1 (0.52) FFAR1FFAR4ACACBCYP2A6TAAR1
SCHEMBL7851520 0.89 FFAR1 (0.47) FFAR1FFAR4ACACBKCNH2

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-6168728-B1 OPTICS WITH HIGH ANISOTROPIC VALUE CHISSO CORPORATION (JP) 2001-01-02 US disclosed
EP-0968988-A1 ACETYLENE DERIVATIVES, AND LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE EACH COMPRISING THE SAME CHISSO CORPORATION (JP) 2000-01-05 EP disclosed