SCHEMBL28053713

SCHEMBL28053713

C=CCOC(=O)C(CCCCCc1ccccc1)(C(=O)O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 5/20 0.42
MAPT P10636 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CYP3A4 P08684 1/20 0.38
FAAH O00519 4/20 0.38
CES1 P23141 3/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
GRM2 Q14416 1/20 0.38
GRM3 Q14832 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
MGLL Q99685 1/20 0.37
LMNA P02545 1/20 0.37
LTB4R Q15722 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM3 P20309 1/20 0.36
ALOX5 P09917 1/20 0.36

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
SCHEMBL28826369 0.99 CASP1 (0.43) CASP1MAPTRXFP1CYP3A4FAAH
SCHEMBL27948399 0.90 CYP3A4 (0.42) CASP1CYP3A4ALDH1A1TSHR
SCHEMBL28053716 0.81 MAPT (0.53) MAPTRXFP1FAAHCES1GRM2
SCHEMBL28053840 0.80 MAPT (0.50) MAPTRXFP1FAAHCES1GRM2
SCHEMBL28053816 0.79 RIPK1 (0.38) CASP1CYP3A4FAAHALDH1A1TSHR
SCHEMBL27948395 0.75 HDAC1 (0.50) MAPTRXFP1FAAHCES1GRM2
SCHEMBL27787305 0.72 SMN1; SMN2 (0.55) CASP1MAPTRXFP1CYP3A4FAAH
SCHEMBL27933151 0.72 CYP3A4 (0.39) CASP1MAPTCYP3A4ALDH1A1TSHR
SCHEMBL7470323 0.71 HRH1 (0.41) CYP3A4ALDH1A1LMNACHRM2CHRM3
SCHEMBL751119 0.71 CYP3A4 (0.53) CASP1MAPTCYP3A4ALDH1A1TSHR

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
CN-103459467-B Polybenzoxazole resin and precursor thereof MITSUBISHI GAS CHEMICAL CO.,INC. (JP) 2016-04-06 CN claimed
CN-103459467-B Polybenzoxazole resin and precursor thereof MITSUBISHI GAS CHEMICAL CO.,INC. (JP) 2016-04-06 CN disclosed