SCHEMBL28523942

SCHEMBL28523942

CCCCCCCCCCCCCCCCCCC=C(C)C(=O)OCCCC

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
ALDH1A1 P00352 1/20 0.48
EP300 Q09472 1/20 0.47
ATM Q13315 1/20 0.46
FAAH O00519 4/20 0.45
NAAA Q02083 1/20 0.44
HPGD P15428 1/20 0.43
HCAR2 Q8TDS4 2/20 0.42
RAD52 P43351 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
EPHX1 P07099 1/20 0.42
DGKA P23743 1/20 0.40

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
SCHEMBL27932228 1.00 TSHR (0.53) TSHRALDH1A1EP300ATMFAAH
SCHEMBL27992887 1.00 TSHR (0.53) TSHRALDH1A1EP300ATMFAAH
SCHEMBL16652538 1.00 TSHR (0.53) TSHRALDH1A1EP300ATMFAAH
SCHEMBL28107308 1.00 TSHR (0.53) TSHRALDH1A1EP300ATMFAAH
SCHEMBL1093905 1.00 TSHR (0.53) TSHRALDH1A1EP300ATMFAAH
SCHEMBL1093902 1.00 TSHR (0.53) TSHRALDH1A1EP300ATMFAAH
SCHEMBL28214988 1.00 TSHR (0.53) TSHRALDH1A1EP300ATMFAAH
SCHEMBL28107323 1.00 TSHR (0.53) TSHRALDH1A1EP300ATMFAAH
SCHEMBL11146406 0.98 TSHR (0.50) TSHRALDH1A1EP300ATMFAAH
SCHEMBL9724670 0.96 TSHR (0.58) TSHRALDH1A1EP300FAAHNAAA

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-112345316-A Method for testing oil-bearing property of shale oil rock by rubbing fluorescence 中国石油天然气股份有限公司 2021-02-09 CN disclosed