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Sugi Predict / Compounds / SCHEMBL845114

SCHEMBL845114

SCHEMBL845114

O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ncccc3-c3cccc(Cl)c3)cc2)cc1)[C@@H]1CCCN1C(=O)c1ncccc1-c1cccc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EP300 Q09472 7/20 0.46
▸ CREBBP Q92793 7/20 0.46
▸ DGAT1 O75907 1/20 0.45
▸ RHOC P08134 1/20 0.44
▸ RHOA P61586 1/20 0.44
▸ CFD P00746 1/20 0.41
▸ F2 P00734 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ TRPV1 Q8NER1 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ F10 P00742 1/20 0.40
▸ MALT1 Q9UDY8 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
SCHEMBL10119342 0.95 ALDH1A1 (0.45) EP300CREBBPDGAT1RHOCRHOA
SCHEMBL10119326 0.92 EP300 (0.41) EP300CREBBPDGAT1RHOCRHOA
SCHEMBL845699 0.90 RHOC (0.48) EP300CREBBPDGAT1RHOCRHOA
SCHEMBL845640 0.90 ALDH1A1 (0.49) ALDH1A1TRPV1POLB
SCHEMBL13272509 0.89 TRPV1 (0.45) DGAT1ALDH1A1LMNAHTTTRPV1
SCHEMBL845841 0.89 TRPV1 (0.45) DGAT1ALDH1A1LMNAHTTTRPV1
SCHEMBL10119346 0.86 RHOC (0.45) EP300CREBBPDGAT1RHOCRHOA
SCHEMBL845374 0.86 PABPC1 (0.51) DGAT1CFDALDH1A1LMNAHTT
SCHEMBL845704 0.85 TRPV1 (0.48) DGAT1ALDH1A1HTTTRPV1
SCHEMBL10119347 0.83 ALDH1A1 (0.43) ALDH1A1

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-8143288-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 — — US disclosed