SCHEMBL24946320

SCHEMBL24946320

CC(C)(C)OC(=O)NC(CCC=O)C(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.57
CTSS P25774 4/20 0.54
PPARG P37231 2/20 0.52
SYK P43405 1/20 0.51
CTSK P43235 4/20 0.50
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
ATM Q13315 1/20 0.48
KLK7 P49862 4/20 0.48
KLK5 Q9Y337 3/20 0.48
MAPT P10636 1/20 0.48
ACE P12821 1/20 0.47

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
SCHEMBL27685348 1.00 PPARA (0.57) PPARACTSSPPARGSYKCTSK
SCHEMBL19400181 1.00 PPARA (0.57) PPARACTSSPPARGSYKCTSK
SCHEMBL30731784 0.88 PPARA (0.56) PPARACTSSPPARGSYKCTSK
SCHEMBL1093849 0.88 PPARA (0.56) PPARACTSSPPARGSYKCTSK
SCHEMBL1093854 0.88 PPARA (0.56) PPARACTSSPPARGSYKCTSK
SCHEMBL9854723 0.88 PPARA (0.56) PPARACTSSPPARGSYKCTSK
SCHEMBL22433357 0.86 PPARA (0.57) PPARACTSSPPARGSYKCTSK
SCHEMBL3881683 0.86 CTSS (0.65) PPARACTSSPPARGSYKCTSK
SCHEMBL22433663 0.86 PPARA (0.57) PPARACTSSPPARGSYKCTSK
SCHEMBL22433665 0.86 PPARA (0.57) PPARACTSSPPARGSYKCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023002452-A1 PROCESS FOR PREPARATION OF TARGETING LIGANDS Janssen Pharmaceuticals, Inc. (US) 2023-01-26 WO disclosed
CN-109311927-A Sugar-dipeptides conjugates as flavor molecules 雀巢产品技术援助有限公司 2019-02-05 CN disclosed
CN-104230900-A Antiviral compounds GILEAD SCIENCES INC 2014-12-24 CN disclosed
CN-104211689-A Antiviral compounds GILEAD SCIENCES INC 2014-12-17 CN disclosed
CN-104211713-A Antiviral compounds GILEAD SCIENCES INC 2014-12-17 CN disclosed
CN-101072771-B Cgrp receptor antagonists MERCK & CO INC 2010-09-29 CN disclosed
CN-101072771-A Cgrp receptor antagonists MERCK & CO INC (US) 2007-11-14 CN disclosed
CN-101068595-A CGRP receptor antagonists MERCK & CO INC (US) 2007-11-07 CN disclosed