SCHEMBL9736751

SCHEMBL9736751

CCCCCCCOc1ccc(-c2ccc(-c3cc(OC(C)=O)ccc3C(=O)O)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 7/20 0.59
RARB P10826 5/20 0.59
RARA P10276 1/20 0.53
TP53 P04637 1/20 0.52
TSHR P16473 1/20 0.52
PLA2G4B P0C869 2/20 0.51
PLK1 P53350 1/20 0.48
MCL1 Q07820 1/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PLA2G4A P47712 1/20 0.47

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
SCHEMBL9485520 0.91 PTPN11 (0.69) PTPN11RARBRARATP53TSHR
SCHEMBL9484379 0.91 PTPN11 (0.69) PTPN11RARBRARATP53TSHR
SCHEMBL9486108 0.91 PTPN11 (0.69) PTPN11RARBRARATP53TSHR
SCHEMBL9484735 0.91 PTPN11 (0.69) PTPN11RARBRARATP53TSHR
SCHEMBL9485532 0.91 PTPN11 (0.69) PTPN11RARBRARATP53TSHR
SCHEMBL9485391 0.90 PTPN11 (0.70) PTPN11RARBRARATP53TSHR
SCHEMBL9485538 0.90 PTPN11 (0.70) PTPN11RARBRARATP53TSHR
SCHEMBL9486054 0.90 PTPN11 (0.70) PTPN11RARBRARATP53TSHR
SCHEMBL9640138 0.90 PTPN11 (0.70) PTPN11RARBRARATP53TSHR
SCHEMBL10340811 0.90 PTPN11 (0.70) PTPN11RARBRARATP53TSHR

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-5098599-A Aromatic esters with sulfide groups as liquid crystals MITSUBISHI RAYON COMPANY LTD. (JP) 1992-03-24 US disclosed
EP-0354355-A1 Optically active compound and liquid crystal composition MITSUBISHI RAYON CO., LTD. (JP) 1990-02-14 EP disclosed