SCHEMBL9751522

SCHEMBL9751522

COc1cc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(C)C2)cc(OC)c1OC

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.60
GAA P10253 1/20 0.60
ALDH1A1 P00352 2/20 0.59
CYP1A2 P05177 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.58

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
SCHEMBL10334481 0.82 POLB (0.84) POLBGAAALDH1A1CYP1A2L3MBTL1
SCHEMBL10459458 0.80
SCHEMBL10469605 0.79
SCHEMBL9751523 0.78
SCHEMBL9751527 0.78
SCHEMBL9751406 0.78
SCHEMBL9751391 0.78
SCHEMBL9751444 0.78
SCHEMBL15172201 0.77 POLB (0.58) POLBGAAALDH1A1CYP1A2L3MBTL1
SCHEMBL14076355 0.77 POLB (0.97) POLBGAAALDH1A1CYP1A2L3MBTL1

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-5019576-A Anticoagulants SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1991-05-28 US disclosed