SCHEMBL27933151

SCHEMBL27933151

C=CCOC(=O)C(CC(C)c1ccccc1)(C(=O)O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.39
ALDH1A1 P00352 6/20 0.38
TSHR P16473 2/20 0.38
CASP1 P29466 4/20 0.38
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 2/20 0.35
GAA P10253 2/20 0.35
KMT2A Q03164 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL28053816 0.87 RIPK1 (0.38) CYP3A4ALDH1A1TSHRCASP1CYP2C19
SCHEMBL28053809 0.85 CYP3A4 (0.38) CYP3A4ALDH1A1TSHRCASP1CYP2C19
SCHEMBL28053714 0.83 CYP3A4 (0.36) CYP3A4ALDH1A1TSHRCASP1CYP2C19
SCHEMBL15463388 0.81 CYP2D6 (0.44) CYP2C19KMT2A
SCHEMBL17721327 0.79 CYP3A4 (0.43) CYP3A4ALDH1A1TSHRCYP2C19HSD17B10
SCHEMBL27932641 0.77 CYP3A4 (0.41) CYP3A4ALDH1A1TSHRCASP1CYP2C19
SCHEMBL27948399 0.75 CYP3A4 (0.42) CYP3A4ALDH1A1TSHRCASP1HSD17B10
SCHEMBL27579705 0.73 PKM (0.48) CYP3A4ALDH1A1TSHRCYP2C19HSD17B10
SCHEMBL28826369 0.72 CASP1 (0.43) CYP3A4ALDH1A1TSHRCASP1SMN1; SMN2
SCHEMBL27948490 0.72 CYP3A4 (0.39) CYP3A4ALDH1A1TSHRCASP1CYP2C19

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
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
CN-103459467-A Polybenzoxazole resin and precursor thereof MITSUBISHI GAS CHEMICAL CO 2013-12-18 CN disclosed