SCHEMBL4445852

SCHEMBL4445852

CC(C)C[C@@H](C(=O)O)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 1/20 0.44
PPARG P37231 1/20 0.42
PPARA Q07869 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
SCHEMBL4445860 1.00 NR1D1 (0.44) NR1D1PPARGPPARA
SCHEMBL3153356 0.85 NR1D1 (0.49) NR1D1
SCHEMBL2540092 0.84 NR1D1 (0.38) NR1D1PPARGPPARA
SCHEMBL2540093 0.84 NR1D1 (0.39) NR1D1
SCHEMBL2540085 0.84 NR1D1 (0.39) NR1D1
SCHEMBL4563902 0.84 AAK1 (0.43)
SCHEMBL18203970 0.84 AAK1 (0.43)
SCHEMBL560618 0.84 AAK1 (0.39)
SCHEMBL560617 0.84 AAK1 (0.39)
SCHEMBL18203971 0.84 AAK1 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2013175-B9 p38 MAP KINASE INHIBITORS MACROPHAGE PHARMA LTD (GB) 2020-11-11 EP disclosed
EP-2013175-B1 p38 MAP KINASE INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2016-11-09 EP disclosed
CN-102942520-A P38 map kinase inhibitors CHROMA THERAPEUTICS LTD 2013-02-27 CN disclosed
CN-101437799-B P38map kinase inhibitors CHROMA THERAPEUTICS LTD 2012-12-26 CN disclosed
CN-101437799-A P38MAP kinase inhibitors CHROMA THERAPEUTICS LTD (GB) 2009-05-20 CN disclosed
EP-2013175-A1 p38 MAP KINASE INHIBITORS Chroma Therapeutics Limited (GB) 2009-01-14 EP disclosed
WO-2007129040-A1 p38 MAP KINASE INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2007-11-15 WO disclosed