SCHEMBL19985376

SCHEMBL19985376

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

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.33
FPR2 P25090 4/20 0.32
FFAR4 Q5NUL3 1/20 0.32
TGFBR1 P36897 2/20 0.32
ACVR1 Q04771 2/20 0.32
DGAT1 O75907 3/20 0.32
SOAT1 P35610 2/20 0.32
KCNH2 Q12809 1/20 0.32
ESR2 Q92731 2/20 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
CCR5 P51681 1/20 0.31

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
SCHEMBL18134257 1.00 S1PR1 (0.33) S1PR1FPR2FFAR4TGFBR1ACVR1
SCHEMBL19985372 0.90 KDM1A (0.33) FPR2FFAR4ESR2ESR1CYP3A4
SCHEMBL19985387 0.90 FPR2 (0.35) S1PR1FPR2FFAR4TGFBR1ACVR1
SCHEMBL19985406 0.89 DGAT1 (0.35) S1PR1FPR2FFAR4TGFBR1ACVR1
SCHEMBL18134256 0.87 S1PR1 (0.33) S1PR1FPR2FFAR4TGFBR1ACVR1
SCHEMBL19985377 0.87 FPR2 (0.33) FPR2FFAR4
SCHEMBL19985380 0.86 FFAR4 (0.34) FFAR4CYP2C9
SCHEMBL19985381 0.85 FFAR4 (0.32) S1PR1FPR2FFAR4
SCHEMBL18134254 0.84 DGAT1 (0.34) FFAR4DGAT1SOAT1ESR2ESR1
SCHEMBL17614852 0.84 FPR2 (0.37) S1PR1FPR2FFAR4TGFBR1ACVR1

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