SCHEMBL31059438

SCHEMBL31059438

CCc1c(C=C(C(=O)O)C(=O)O)c(CC)c(CC)c(C=C(C(=O)O)C(=O)O)c1CC

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EP300 Q09472 1/20 0.34
▸ TP53 P04637 1/20 0.33
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL345322 0.69 KDM4E (0.40) TP53MEN1KMT2ASMN1; SMN2
SCHEMBL8515208 0.64 TP53 (0.44) TP53MEN1KMT2A
SCHEMBL5373943 0.64 CA1 (0.41) TP53MEN1KMT2ASMN1; SMN2
SCHEMBL1009054 0.60 ALDH1A1 (0.39) —
SCHEMBL29210205 0.60 EP300 (0.46) EP300
SCHEMBL190066 0.60 EP300 (0.52) EP300
SCHEMBL29150788 0.58 ALDH1A1 (0.37) —
SCHEMBL2674745 0.58 TP53 (0.74) TP53
SCHEMBL216025 0.57 — —
SCHEMBL3749739 0.57 FFAR3 (0.40) —

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-118541634-A Polythiourethane film, material for spectacle lenses, spectacle lens, and method for producing spectacle lens 三井化学株式会社 2024-08-23 — — CN disclosed
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