SCHEMBL7385254

SCHEMBL7385254

CCOC(=O)C(Cc1ccc(OC)c(OC)c1)NC(=O)CCCCc1ccc(C=NN)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
CAPN1 P07384 1/20 0.44
EPHX2 P34913 1/20 0.41
HDAC1 Q13547 3/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40

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 0.88 ALDH1A1 (0.46) ALDH1A1CAPN1HDAC1HDAC6KMT2A
SCHEMBL7386056 0.87 CTSG (0.52) ALDH1A1CAPN1HDAC1HDAC6
SCHEMBL7388294 0.86 TACR1 (0.46) HDAC1HDAC6KMT2A
SCHEMBL7387481 0.86 CAPN1 (0.47) ALDH1A1CAPN1GAAKMT2A
SCHEMBL7385771 0.86 HDAC1 (0.54) HDAC1HDAC6KMT2A
SCHEMBL7390554 0.86 CTSG (0.43) ALDH1A1HDAC1HDAC6HDAC3HDAC2
SCHEMBL7382682 0.86 KMT2A (0.41) ALDH1A1HDAC1HDAC6KMT2A
SCHEMBL7380004 0.85 HDAC1 (0.41) HDAC1HDAC6KMT2A
SCHEMBL7386548 0.85 ITGB3 (0.46) ALDH1A1HDAC1HDAC6GAAKMT2A
SCHEMBL7388722 0.85 HDAC1 (0.54) ALDH1A1HDAC1HDAC6HDAC2

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