SCHEMBL9541986

SCHEMBL9541986

CCCCCCCCOc1ccc(-c2ccc(C(=O)O)cc2)c(-c2ccc(C(=O)OC(C)CCCCCC)cc2F)c1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 3/20 0.57
RARB P10826 5/20 0.51
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
PLA2G4B P0C869 6/20 0.47
PLA2G4A P47712 1/20 0.44
MCL1 Q07820 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL7775358 0.91 PTPN11 (0.63) PTPN11RARBTP53TSHRPLA2G4B
SCHEMBL7780461 0.91 PTPN11 (0.63) PTPN11RARBTP53TSHRPLA2G4B
SCHEMBL7773620 0.91 PTPN11 (0.63) PTPN11RARBTP53TSHRPLA2G4B
SCHEMBL7778267 0.91 PTPN11 (0.63) PTPN11RARBTP53TSHRPLA2G4B
SCHEMBL9627224 0.88 PTPN11 (0.57) PTPN11RARBTP53TSHRPLA2G4B
SCHEMBL10429579 0.87 PTPN11 (0.59) PTPN11RARBTP53TSHRPLA2G4B
SCHEMBL8869309 0.87 PTPN11 (0.52) PTPN11RARBTP53TSHRPLA2G4B
SCHEMBL9626767 0.86 PTPN11 (0.56) PTPN11RARBTP53TSHRPLA2G4B
SCHEMBL7780458 0.86 PTPN11 (0.58) PTPN11RARBTP53TSHRPLA2G4B
SCHEMBL7773618 0.86 PTPN11 (0.58) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5039246-A None JP disclosed
JP-H0539246-A FLUORINE-SUBSTITUTED LIQUID CRYSTAL SUBSTANCE MITSUBISHI GAS CHEM CO INC 1993-02-19 JP disclosed