SCHEMBL29139760

SCHEMBL29139760

CCCCCCC=COc1ccc(C(=O)O)cc1C=CCCCCCC

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
PTPN11 Q06124 2/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
PLA2G4B P0C869 2/20 0.43
PLA2G2D Q9UNK4 1/20 0.42
RARB P10826 3/20 0.41
CYSLTR2 Q9NS75 1/20 0.41
PLA2G2A P14555 1/20 0.41

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
SCHEMBL28714160 0.88 EPHX2 (0.38) CYSLTR2
SCHEMBL8086134 0.83 CA12 (0.51) ALDH1A1HPGDTSHRPLA2G4B
SCHEMBL8086133 0.83 CA12 (0.51) ALDH1A1HPGDTSHRPLA2G4B
SCHEMBL11181674 0.81 PTPN11 (0.46) PTPN11TP53TSHRPLA2G4BRARB
SCHEMBL30585894 0.81 F7 (0.46) TP53TSHRPLA2G4BCYSLTR2
SCHEMBL28720362 0.80 TSHR (0.35) ALDH1A1TP53TSHRCYSLTR2
SCHEMBL8378126 0.78 TP53 (0.59) ALDH1A1PTPN11TP53TSHRPLA2G4B
SCHEMBL6925756 0.78 TP53 (0.59) ALDH1A1PTPN11TP53TSHRPLA2G4B
SCHEMBL8378127 0.78 TP53 (0.59) ALDH1A1PTPN11TP53TSHRPLA2G4B
SCHEMBL28712345 0.76 HCAR3 (0.41) ALDH1A1HPGDTP53TSHRPLA2G4B

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-113527122-B DC/AC high-voltage cable insulation material voltage stabilizer, preparation method and application thereof 万华化学(宁波)有限公司 2023-12-19 CN disclosed