SCHEMBL6937388

SCHEMBL6937388

CCCCCCCCCOc1ccc(-c2ccc(C(=O)O)cc2-c2ccc(C(=O)O[C@H](C)CC(CC)CC)c(F)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 3/20 0.52
RARB P10826 6/20 0.48
RARA P10276 1/20 0.47
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
PLA2G4B P0C869 6/20 0.45
PLA2G4A P47712 1/20 0.42
MCL1 Q07820 1/20 0.41
PPARD Q03181 1/20 0.41

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
SCHEMBL6939274 0.94 PTPN11 (0.54) PTPN11RARBRARATP53TSHR
SCHEMBL6936277 0.94 PTPN11 (0.54) PTPN11RARBRARATP53TSHR
SCHEMBL7604365 0.90 PTPN11 (0.42) PTPN11RARBRARATP53TSHR
SCHEMBL9626753 0.90 PTPN11 (0.58) PTPN11RARBRARATP53TSHR
SCHEMBL6933625 0.89 PTPN11 (0.51) PTPN11RARBRARATP53TSHR
SCHEMBL9627224 0.87 PTPN11 (0.57) PTPN11RARBRARATP53TSHR
SCHEMBL6547940 0.86 HCRTR1 (0.39) PTPN11RARBRARA
SCHEMBL7604192 0.84 PTPN11 (0.44) PTPN11RARBRARATP53TSHR
SCHEMBL7539606 0.83 PTPN11 (0.48) PTPN11RARBRARATP53TSHR
SCHEMBL8869309 0.83 PTPN11 (0.52) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0978504-B1 Anti-ferroelectric liquid crystal compound MITSUBISHI GAS CHEMICAL CO (JP) 2003-07-02 EP claimed
US-6133469-A HIGH PERFORMANCE LIQUID CRYSTAL DISPLAY DEVICES HAVING LARGER DISPLAY CAPACITY MITSUBISHI GAS CHEMICAL COMPANY (JP) 2000-10-17 US claimed
EP-0978504-B1 Anti-ferroelectric liquid crystal compound MITSUBISHI GAS CHEMICAL CO (JP) 2003-07-02 EP disclosed
US-6133469-A HIGH PERFORMANCE LIQUID CRYSTAL DISPLAY DEVICES HAVING LARGER DISPLAY CAPACITY MITSUBISHI GAS CHEMICAL COMPANY (JP) 2000-10-17 US disclosed
EP-0978504-A1 Anti-ferroelectric liquid crystal compound MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2000-02-09 EP disclosed