SCHEMBL19985317

SCHEMBL19985317

CCCCCOc1ccc(-c2ccc(C3CCC(CC)CC3)cc2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 6/20 0.34
FPR2 P25090 2/20 0.33
RAB9A P51151 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
PTPN11 Q06124 1/20 0.32
S1PR3 Q99500 1/20 0.32
CYP2C9 P11712 3/20 0.32
ESR1 P03372 1/20 0.31
CYP3A4 P08684 1/20 0.31
ESR2 Q92731 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 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
SCHEMBL19985318 0.99 SPHK1 (0.36) SPHK1FPR2PTPN11S1PR3
SCHEMBL19985319 0.99 SPHK1 (0.36) SPHK1FPR2PTPN11S1PR3
SCHEMBL19985320 0.99 SPHK1 (0.36) SPHK1FPR2PTPN11S1PR3
SCHEMBL19985322 0.99 SPHK1 (0.36) SPHK1FPR2PTPN11S1PR3
SCHEMBL19985321 0.96 RAB9A (0.36) SPHK1FPR2RAB9AFFAR4CYP2C9
SCHEMBL12156538 0.93 FPR2 (0.36) FPR2FFAR4CYP2C9ESR1CYP3A4
SCHEMBL9406205 0.92 CYP2C9 (0.36) SPHK1FPR2RAB9AFFAR4PTPN11
SCHEMBL19985325 0.92 CYP2C9 (0.36) SPHK1FPR2RAB9AFFAR4PTPN11
SCHEMBL9406200 0.92 CYP2C9 (0.36) SPHK1FPR2RAB9AFFAR4PTPN11
SCHEMBL19985323 0.92 CYP2C9 (0.41) SPHK1FPR2RAB9AFFAR4PTPN11

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-20230183572-A1 LIQUID CRYSTAL COMPOSITION WITH GOOD FREQUENCY DEPENDENCE AND LIQUID CRYSTAL DISPLAY ELEMENT SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIAL CO., LTD. (CN) 2023-06-15 US disclosed
US-20230167362-A1 NEGATIVE LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT OR LIQUID CRYSTAL DISPLAY SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MAT CO ITD (CN) 2023-06-01 US disclosed
US-20180079959-A1 LIQUID CRYSTAL ELEMENT WITH NEGATIVE DIELECTRIC ANISOTROPY DIC CORPORATION (JP) 2018-03-22 US disclosed