Sugi Predict

Sugi Predict / Compounds / SCHEMBL6163918

SCHEMBL6163918

SCHEMBL6163918

CC(C)(C)OC(=O)NC(C)(C)C(=O)NC(COCc1ccccc1)C(=O)N1CCC(NC(=O)c2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.46
▸ UGCG Q16739 3/20 0.46
▸ PPARA Q07869 2/20 0.45
▸ CCKBR P32239 2/20 0.45
▸ PPARG P37231 1/20 0.45
▸ USP30 Q70CQ3 2/20 0.44
▸ KMT2A Q03164 1/20 0.43
▸ CTSS P25774 1/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ TLR2 O60603 1/20 0.42
▸ TLR1 Q15399 1/20 0.42
▸ GHSR Q92847 1/20 0.42

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
SCHEMBL6163920 1.00 CYP3A4 (0.46) CYP3A4UGCGPPARACCKBRPPARG
SCHEMBL6161524 0.89 CTSS (0.43) CYP3A4UGCGPPARACCKBRPPARG
SCHEMBL6162518 0.87 GHSR (0.54) CYP3A4UGCGCCKBRKMT2AGHSR
SCHEMBL6162511 0.87 GHSR (0.54) CYP3A4UGCGCCKBRKMT2AGHSR
SCHEMBL6162514 0.87 GHSR (0.54) CYP3A4UGCGCCKBRKMT2AGHSR
SCHEMBL6162932 0.85 PPARA (0.48) PPARACCKBRPPARGKMT2ACTSS
SCHEMBL6162935 0.85 PPARA (0.48) PPARACCKBRPPARGKMT2ACTSS
SCHEMBL6163585 0.83 KMT2A (0.49) PPARACCKBRKMT2AMAPK1
SCHEMBL6163589 0.83 KMT2A (0.49) PPARACCKBRKMT2AMAPK1
SCHEMBL6161113 0.83 P2RX7 (0.43) CYP3A4UGCGPPARACCKBRKMT2A

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
EP-0828754-B1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER (US) 2005-02-02 — — EP disclosed