SCHEMBL28210974

SCHEMBL28210974

COCCCC(C)C([O])=O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
TSHR P16473 1/20 0.36
CA1 P00915 2/20 0.34
BLM P54132 1/20 0.33
HPGD P15428 1/20 0.33
RECQL P46063 1/20 0.32
DDAH1 O94760 1/20 0.31
LTA4H P09960 1/20 0.31

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
SCHEMBL28211046 0.86
SCHEMBL6383237 0.82 BLM (0.52) ALDH1A1TSHRBLMHPGDDDAH1
SCHEMBL13225467 0.82 ALDH1A1 (0.40) ALDH1A1TSHRCA1BLMHPGD
SCHEMBL2097809 0.80 ALDH1A1 (0.39) ALDH1A1TSHRCA1BLMHPGD
SCHEMBL20286475 0.77 ALDH1A1 (0.36) ALDH1A1TSHRCA1BLMHPGD
SCHEMBL12680046 0.77 TSHR (0.37) ALDH1A1TSHRCA1HPGDRECQL
SCHEMBL28956648 0.77 TDP1 (0.40) ALDH1A1TSHRCA1
SCHEMBL12972386 0.76 LTA4H (0.50) ALDH1A1CA1BLMLTA4H
SCHEMBL12972240 0.76 ALDH1A1 (0.43) ALDH1A1TSHRCA1BLMHPGD
SCHEMBL28065252 0.76 LTA4H (0.50) ALDH1A1CA1BLMLTA4H

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107892729-A The copolymer and manufacture method of (methyl) acrylic acid triisopropylsilyl ester and (methyl) acrylic acid derivative 信越化学工业株式会社 2018-04-10 CN disclosed