SCHEMBL19985387

SCHEMBL19985387

CC/C=C\CC1CCC(c2ccc(-c3ccc(OC)c(F)c3F)cc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 7/20 0.35
S1PR1 P21453 1/20 0.32
TGFBR1 P36897 2/20 0.32
ACVR1 Q04771 2/20 0.32
KCNH2 Q12809 1/20 0.31
DGAT1 O75907 1/20 0.31
SOAT1 P35610 1/20 0.31
FFAR2 O15552 1/20 0.31
ESR1 P03372 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
ESR2 Q92731 1/20 0.31
CCR5 P51681 1/20 0.30
FFAR4 Q5NUL3 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
SCHEMBL19985384 0.91 FPR2 (0.35) FPR2ESR1CYP3A4CYP2C9ESR2
SCHEMBL19985376 0.90 S1PR1 (0.33) FPR2S1PR1TGFBR1ACVR1KCNH2
SCHEMBL18134257 0.90 S1PR1 (0.33) FPR2S1PR1TGFBR1ACVR1KCNH2
SCHEMBL17614852 0.88 FPR2 (0.37) FPR2S1PR1TGFBR1ACVR1KCNH2
SCHEMBL19985390 0.88 FPR2 (0.34) FPR2
SCHEMBL19985385 0.87 RAB9A (0.32) FPR2CYP2C9FFAR4
SCHEMBL19985399 0.86 SPHK1 (0.31) FPR2
SCHEMBL18134256 0.86 S1PR1 (0.33) FPR2S1PR1TGFBR1ACVR1KCNH2
SCHEMBL19985391 0.85 SPHK1 (0.33) FPR2S1PR1
SCHEMBL19985405 0.85 SPHK1 (0.33) FPR2S1PR1

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-20180079959-A1 LIQUID CRYSTAL ELEMENT WITH NEGATIVE DIELECTRIC ANISOTROPY DIC CORPORATION (JP) 2018-03-22 US disclosed
US-20180079959-A1 LIQUID CRYSTAL ELEMENT WITH NEGATIVE DIELECTRIC ANISOTROPY DIC CORPORATION (JP) 2018-03-22 US disclosed