SCHEMBL27756525

SCHEMBL27756525

CC(C)(C)OC(=O)C(=N)CC(Cc1ccc(Cl)cc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.48
▸ MME P08473 2/20 0.43
▸ PPARG P37231 5/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ PPARA Q07869 4/20 0.42
▸ BCL2L1 Q07817 1/20 0.42
▸ MCL1 Q07820 1/20 0.42
▸ CPA1 P15085 3/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ CPB1 P15086 1/20 0.40
▸ CPA3 P15088 1/20 0.40
▸ CPB2 Q96IY4 1/20 0.40
▸ FDFT1 P37268 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
SCHEMBL27954186 0.87 CTSS (0.44) MMEPPARGPPARACPA1CPB1
SCHEMBL27944378 0.85 CTSL (0.47) KMT2APPARGPPARACPA1MEN1
SCHEMBL4504708 0.84 KMT2A (0.52) KMT2AMMEPPARGEPHX2PPARA
SCHEMBL1915429 0.84 KMT2A (0.52) KMT2AMMEPPARGEPHX2PPARA
SCHEMBL1915428 0.84 KMT2A (0.52) KMT2AMMEPPARGEPHX2PPARA
SCHEMBL27745166 0.82 CYP3A4 (0.41) KMT2AMMEPPARGEPHX2PPARA
SCHEMBL27944387 0.80 PPARG (0.41) PPARGEPHX2PPARACPA1CPB1
SCHEMBL27954191 0.78 CYP3A4 (0.43) CPA1CPB1CPA3CPB2
SCHEMBL27613874 0.77 CYP3A4 (0.41) KMT2APPARGPPARA
SCHEMBL27613846 0.77 CYP3A4 (0.41) KMT2APPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105130967-A Pyrrolidinyl urea and pyrrolidinyl thiourea compounds as trka kinase inhibitors ARRAY BIOPHARMA INC 2015-12-09 — — CN disclosed
CN-103649076-B Pyrrolidinyl urea and pyrrolidinyl thiourea compounds as TRKA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2015-09-09 — — CN disclosed
CN-103649076-A Pyrrolidinyl urea and pyrrolidinyl thiourea compounds as trka kinase inhibitors ARRAY BIOPHARMA INC 2014-03-19 — — CN disclosed
CN-102282141-A Melanocortin receptor agonists — 2011-12-14 — — CN disclosed
CN-101535297-A Melanocortin receptor agonists LG LIFE SCIENCES LTD (KR) 2009-09-16 — — CN disclosed
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