SCHEMBL28053816

SCHEMBL28053816

C=CCOC(=O)C(CCCC(C)c1ccccc1)(C(=O)O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.38
CYP3A4 P08684 1/20 0.37
ALDH1A1 P00352 6/20 0.36
TSHR P16473 2/20 0.36
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CASP1 P29466 3/20 0.34
FAAH O00519 1/20 0.34
MGLL Q99685 1/20 0.34
HSD17B10 Q99714 1/20 0.33
TRPA1 O75762 1/20 0.33
CYP2C19 P33261 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSH P09668 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
SCHEMBL27933151 0.87 CYP3A4 (0.39) CYP3A4ALDH1A1TSHRMEN1GAA
SCHEMBL28826292 0.82 RIPK1 (0.50) RIPK1ALDH1A1TRPA1
SCHEMBL28826369 0.80 CASP1 (0.43) CYP3A4ALDH1A1TSHRCASP1FAAH
SCHEMBL28053713 0.79 CASP1 (0.42) CYP3A4ALDH1A1TSHRCASP1FAAH
SCHEMBL28053714 0.78 CYP3A4 (0.36) CYP3A4ALDH1A1TSHRMEN1GAA
SCHEMBL27948399 0.78 CYP3A4 (0.42) CYP3A4ALDH1A1TSHRNPSR1CASP1
SCHEMBL28053809 0.78 CYP3A4 (0.38) CYP3A4ALDH1A1TSHRMEN1GAA
SCHEMBL28053807 0.75 RIPK1 (0.56) RIPK1TRPA1
SCHEMBL27932641 0.74 CYP3A4 (0.41) CYP3A4ALDH1A1TSHRMEN1GAA
SCHEMBL17721327 0.71 CYP3A4 (0.43) RIPK1CYP3A4ALDH1A1TSHRMEN1

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