SCHEMBL8953576

SCHEMBL8953576

CCCCCCOc1ccc(CC(O)C(=O)O)cc1.CCCCCCOc1ccc(CC(O)C(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.59
TSHR P16473 1/20 0.59
PLA2G4B P0C869 3/20 0.57
ITGB3 P05106 4/20 0.57
ITGA2B P08514 4/20 0.57
RARB P10826 3/20 0.55
LMNA P02545 1/20 0.54
ITGB1 P05556 2/20 0.54
ITGA4 P13612 2/20 0.54
NR5A1 Q13285 1/20 0.53

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
SCHEMBL7507343 1.00 TP53 (0.59) TP53TSHRPLA2G4BITGB3ITGA2B
SCHEMBL13804958 0.95 LMNA (0.54) TP53TSHRITGB3ITGA2BLMNA
SCHEMBL27654987 0.88 ITGB3 (0.55) ITGB3ITGA2BLMNA
SCHEMBL27654994 0.86 PPARG (0.54) ITGB3ITGA2BLMNA
SCHEMBL8953580 0.86 PPARA (0.51) TP53TSHRPLA2G4BITGB3ITGA2B
SCHEMBL11668908 0.85 TP53 (0.59) TP53TSHRPLA2G4BITGB3ITGA2B
SCHEMBL7142926 0.84 ITGB3 (0.77) TP53TSHRPLA2G4BITGB3ITGA2B
SCHEMBL1960616 0.84 ITGB3 (0.77) TP53TSHRPLA2G4BITGB3ITGA2B
SCHEMBL31193421 0.84 ITGB3 (0.77) TP53TSHRPLA2G4BITGB3ITGA2B
SCHEMBL1960615 0.84 ITGB3 (0.77) TP53TSHRPLA2G4BITGB3ITGA2B

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
US-5514773-A PARASITICIDES, ANTHELMINTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-07 US disclosed