SCHEMBL9650384

SCHEMBL9650384

CCCCCCCCCCOc1ccc(-c2cc(OCCCCCCCCC)ccc2C(=O)O)cc1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 6/20 0.70
RARB P10826 4/20 0.63
TP53 P04637 1/20 0.60
TSHR P16473 1/20 0.60
PLA2G4B P0C869 2/20 0.58
MCL1 Q07820 1/20 0.57
RARA P10276 1/20 0.56
KDM4E B2RXH2 1/20 0.54
NPC1 O15118 1/20 0.54
ALDH1A1 P00352 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
PLK1 P53350 1/20 0.54

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
SCHEMBL8374334 1.00 PTPN11 (0.70) PTPN11RARBTP53TSHRPLA2G4B
SCHEMBL9484789 1.00 PTPN11 (0.70) PTPN11RARBTP53TSHRPLA2G4B
SCHEMBL9485391 1.00 PTPN11 (0.70) PTPN11RARBTP53TSHRPLA2G4B
SCHEMBL7875556 1.00 PTPN11 (0.70) PTPN11RARBTP53TSHRPLA2G4B
SCHEMBL9485471 1.00 PTPN11 (0.70) PTPN11RARBTP53TSHRPLA2G4B
SCHEMBL10340811 1.00 PTPN11 (0.70) PTPN11RARBTP53TSHRPLA2G4B
SCHEMBL9485538 1.00 PTPN11 (0.70) PTPN11RARBTP53TSHRPLA2G4B
SCHEMBL9640138 1.00 PTPN11 (0.70) PTPN11RARBTP53TSHRPLA2G4B
SCHEMBL9486054 1.00 PTPN11 (0.70) PTPN11RARBTP53TSHRPLA2G4B
SCHEMBL9484379 0.99 PTPN11 (0.69) PTPN11RARBTP53TSHRPLA2G4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0267670-B1 OPTICALLY ACTIVE LIQUID CRYSTAL COMPOUND HAVING CYANO GROUP Chisso Corporation (JP) 1992-12-23 EP disclosed
EP-0251335-B1 HALOGENEN-SUBSTITUTED PHENYL BENZYL ETHER DERIVATIVES, LIQUID CRYSTAL COMPOSITIONS CONTAINING THEM AND OPTICAL SWITCHING ELEMENT Chisso Corporation (JP) 1991-04-24 EP disclosed
US-4886622-A Optically active liquid crystal compound having cyano group CHISSO CORPORATION (JP) 1989-12-12 US disclosed
US-4784791-A LIQUID CRYSTAL COMPOUNDS FOR OPTICAL SWITCHES CHISSO CORPORATION (JP) 1988-11-15 US disclosed
EP-0251335-A2 Halogenen-substituted phenyl benzyl ether derivatives, liquid crystal compositions containing them and optical switching element Chisso Corporation (JP) 1988-01-07 EP disclosed