SCHEMBL31206265

SCHEMBL31206265

O=C(O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSC P53634 2/20 0.57
MME P08473 1/20 0.53
OPRM1 P35372 2/20 0.52
ACE P12821 1/20 0.50
REN P00797 1/20 0.49
OPRD1 P41143 2/20 0.49

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
SCHEMBL33721998 1.00 CTSC (0.57) CTSCMMEOPRM1ACEREN
SCHEMBL30546877 0.94 CTSC (0.63) CTSCMMEACEREN
SCHEMBL29702042 0.94 CTSC (0.63) CTSCMMEACEREN
SCHEMBL29701979 0.94 CTSC (0.63) CTSCMMEACEREN
SCHEMBL22127884 0.92 CTSC (0.56) CTSCMMEACE
SCHEMBL6367393 0.92 CTSC (0.56) CTSCMMEACE
SCHEMBL6367397 0.92 CTSC (0.56) CTSCMMEACE
SCHEMBL30567412 0.92 CTSC (0.49) CTSCREN
SCHEMBL29630752 0.91 CTSC (0.48) CTSCREN
SCHEMBL601567 0.90 CTSC (0.68) CTSCMMEACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111602822-B Liver fat synthesis inhibitor 不二制油集团控股株式会社 2024-10-01 CN disclosed
CN-111602822-B Liver fat synthesis inhibitor 不二制油集团控股株式会社 2024-10-01 CN disclosed