SCHEMBL19985406

SCHEMBL19985406

C/C=C/CCC1CCC(c2ccc(-c3ccc(OC)c(F)c3F)cc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 4/20 0.35
SOAT1 P35610 2/20 0.35
ESR2 Q92731 3/20 0.34
S1PR1 P21453 1/20 0.32
FPR2 P25090 3/20 0.32
FFAR4 Q5NUL3 1/20 0.32
TGFBR1 P36897 2/20 0.31
ACVR1 Q04771 2/20 0.31
FAAH O00519 1/20 0.31
CHRM2 P08172 1/20 0.31
DGAT2 Q96PD7 1/20 0.31
PDE10A Q9Y233 1/20 0.31
KCNH2 Q12809 1/20 0.31
FFAR2 O15552 1/20 0.31
CYP2C9 P11712 3/20 0.30
CYP3A4 P08684 2/20 0.30
ESR1 P03372 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
SCHEMBL19985395 0.90 ESR2 (0.33) DGAT1SOAT1ESR2FPR2FFAR4
SCHEMBL8935500 0.90 ALOX5AP (0.34) FPR2
SCHEMBL8959442 0.90 CYP3A4 (0.32) FPR2CYP2C9CYP3A4
SCHEMBL15723099 0.89 ESR2 (0.33) DGAT1SOAT1ESR2
SCHEMBL22277190 0.89 ESR2 (0.33) DGAT1SOAT1ESR2FPR2FFAR4
SCHEMBL19985376 0.89 S1PR1 (0.33) DGAT1SOAT1ESR2S1PR1FPR2
SCHEMBL18134257 0.89 S1PR1 (0.33) DGAT1SOAT1ESR2S1PR1FPR2
SCHEMBL10030938 0.88 DGAT1 (0.35) DGAT1SOAT1ESR2S1PR1FPR2
SCHEMBL19985397 0.87 CYP2C9 (0.33) DGAT1SOAT1ESR2FPR2CYP2C9
SCHEMBL8962903 0.87 ALOX5AP (0.33) FPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021134883-A1 LIQUID CRYSTAL COMPOSITION OF NEGATIVE LIQUID CRYSTAL COMPOUND HAVING METHOXY BRIDGE BOND AND USE THEREOF 北京八亿时空液晶科技股份有限公司 2021-07-08 WO disclosed
WO-2021134885-A1 HIGH-CONTRAST NEGATIVE LIQUID CRYSTAL COMPOSITION CONTAINING PHENYLPROPYLTHIOPHENE AND APPLICATION THEREOF 北京八亿时空液晶科技股份有限公司 2021-07-08 WO disclosed
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