SCHEMBL19986374

SCHEMBL19986374

COc1ccc(-c2ccc(C3CCCCC3)cc2)c(F)c1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.49
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 1/20 0.44
APP P05067 1/20 0.44
ALOX5AP P20292 2/20 0.40
FEN1 P39748 2/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TGFBR1 P36897 2/20 0.38
ACVR1 Q04771 2/20 0.38
FFAR4 Q5NUL3 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37

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
SCHEMBL26802110 0.98 S1PR1 (0.47) S1PR1CYP3A4CYP2C9APPALOX5AP
SCHEMBL17070251 0.88 S1PR1 (0.41) S1PR1CYP3A4CYP2C9APPALOX5AP
SCHEMBL172438 0.87 ESR2 (0.42) S1PR1CYP3A4CYP2C9APPALOX5AP
SCHEMBL9291317 0.87 S1PR1 (0.38) S1PR1CYP3A4CYP2C9APPALOX5AP
SCHEMBL15681366 0.86 CYP3A4 (0.43) S1PR1CYP3A4CYP2C9APPALOX5AP
SCHEMBL12437068 0.86 ESR2 (0.41) S1PR1CYP3A4CYP2C9APPALOX5AP
SCHEMBL18287662 0.86 KDM1A (0.38) S1PR1ALOX5APFEN1TGFBR1ACVR1
SCHEMBL18712356 0.85 CYP3A4 (0.48) S1PR1CYP3A4CYP2C9APPALOX5AP
SCHEMBL16769035 0.84 CYP3A4 (0.41) S1PR1CYP3A4CYP2C9APPALOX5AP
SCHEMBL15256090 0.84 CYP3A4 (0.42) S1PR1CYP3A4CYP2C9APPPDE4A

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-12024665-B2 Polymer-stabilized liquid crystal composition and use thereof BEIJING BAYI SPACE LCD TECHNOLOGY CO., LTD. (CN) 2024-07-02 US disclosed
US-20220389320-A1 POLYMER-STABILIZED LIQUID CRYSTAL COMPOSITION AND USE THEREOF BEIJING BAYI SPACE LCD TECHNOLOGY CO., LTD (CN) 2022-12-08 US disclosed
US-20180079959-A1 LIQUID CRYSTAL ELEMENT WITH NEGATIVE DIELECTRIC ANISOTROPY DIC CORPORATION (JP) 2018-03-22 US disclosed