SCHEMBL9155386

SCHEMBL9155386

CCCCCCCOc1ccc(C2C=CC(C(=O)O)(c3ccccc3C(=O)OC(C)CCCC)C=C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
PTPN11 Q06124 1/20 0.38
PLK1 P53350 1/20 0.38
TSHR P16473 3/20 0.37
TP53 P04637 1/20 0.37
PLA2G4B P0C869 1/20 0.36
FAAH O00519 6/20 0.36
ALOX5 P09917 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL9157284 1.00 ALDH1A1 (0.48) ALDH1A1PTPN11PLK1TSHRTP53
SCHEMBL9157438 1.00 ALDH1A1 (0.48) ALDH1A1PTPN11PLK1TSHRTP53
SCHEMBL9615779 0.98 ALDH1A1 (0.51) ALDH1A1PTPN11PLK1TSHRTP53
SCHEMBL9152938 0.98 ALDH1A1 (0.51) ALDH1A1PTPN11PLK1TSHRTP53
SCHEMBL7778259 0.98 ALDH1A1 (0.51) ALDH1A1PTPN11PLK1TSHRTP53
SCHEMBL7773614 0.98 ALDH1A1 (0.51) ALDH1A1PTPN11PLK1TSHRTP53
SCHEMBL7780455 0.98 ALDH1A1 (0.51) ALDH1A1PTPN11PLK1TSHRTP53
SCHEMBL9155601 0.96 ALDH1A1 (0.46) ALDH1A1PTPN11PLK1TSHRTP53
SCHEMBL9156615 0.96 ALDH1A1 (0.46) ALDH1A1PTPN11PLK1TSHRTP53
SCHEMBL9155967 0.96 ALDH1A1 (0.46) ALDH1A1PTPN11PLK1TSHRTP53

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
EP-0450595-B1 Liquid crystal compound and liquid crystal display device MITSUBISHI GAS CHEMICAL CO (JP) 1995-03-01 EP disclosed
US-5374375-A Antiferroelectric phase; used in the field of information, office automation appliances, and television; higher display qualities and higher resolution MITSUBISHI GAS CHEMICAL CO., INC. (JP) 1994-12-20 US disclosed
EP-0450595-A1 Liquid crystal compound and liquid crystal display device MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1991-10-09 EP disclosed