SCHEMBL7387481

SCHEMBL7387481

CCOC(=O)C(Cc1ccc(OC)cc1OC)NC(=O)CCCCc1ccc(C=NN)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 4/20 0.47
ALDH1A1 P00352 3/20 0.46
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
CNR1 P21554 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
POLB P06746 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL7384580 0.87 ALDH1A1 (0.46) CAPN1ALDH1A1CNR1KMT2AITGB3
SCHEMBL7385254 0.86 ALDH1A1 (0.45) CAPN1ALDH1A1GAAKMT2A
SCHEMBL7386548 0.84 ITGB3 (0.46) ALDH1A1GAAKMT2AITGB3ITGA2B
SCHEMBL7386056 0.82 CTSG (0.52) CAPN1ALDH1A1
SCHEMBL7386158 0.82 ALDH1A1 (0.45) CAPN1ALDH1A1ITGB3ITGA2BPOLB
SCHEMBL7385771 0.81 HDAC1 (0.54) KMT2A
SCHEMBL7382682 0.81 KMT2A (0.41) ALDH1A1KMT2APOLB
SCHEMBL7390554 0.81 CTSG (0.43) ALDH1A1KMT2A
SCHEMBL7388722 0.81 HDAC1 (0.54) ALDH1A1
SCHEMBL7380004 0.81 HDAC1 (0.41) KMT2AITGB3ITGA2B

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5220050-A PEPTIDE MIMETIC COMPOUNDS USEFUL AS PLATELET AGGREGATION INHIBITORS G. D. SEARLE & CO. (US) 1993-06-15 US claimed
WO-1992020705-A1 PEPTIDE MIMETIC COMPOUNDS USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1992-11-26 WO claimed
US-5220050-A PEPTIDE MIMETIC COMPOUNDS USEFUL AS PLATELET AGGREGATION INHIBITORS G. D. SEARLE & CO. (US) 1993-06-15 US disclosed
WO-1992020705-A1 PEPTIDE MIMETIC COMPOUNDS USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1992-11-26 WO disclosed
EP-0513810-A1 Peptide mimetic compounds useful as platelet aggregation inhibitors G.D. Searle & Co. (US) 1992-11-19 EP disclosed