SCHEMBL27944378

SCHEMBL27944378

CC(C)(C)OC(=O)C(=N)CC(Cc1cccc(Cl)c1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.47
▸ SLC7A5 Q01650 1/20 0.43
▸ FOLH1 Q04609 4/20 0.42
▸ CPA1 P15085 3/20 0.40
▸ PNMT P11086 1/20 0.40
▸ CPB1 P15086 1/20 0.40
▸ CPA3 P15088 1/20 0.40
▸ CPB2 Q96IY4 1/20 0.40
▸ KMO O15229 1/20 0.39
▸ PPARG P37231 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL1915659 0.85 CTSL (0.51) CTSLSLC7A5FOLH1CPA1PNMT
SCHEMBL1915662 0.85 CTSL (0.51) CTSLSLC7A5FOLH1CPA1PNMT
SCHEMBL27756525 0.85 KMT2A (0.48) CPA1CPB1CPA3CPB2PPARG
SCHEMBL27954191 0.79 CYP3A4 (0.43) CPA1CPB1CPA3CPB2
SCHEMBL27944387 0.79 PPARG (0.41) FOLH1CPA1CPB1CPA3CPB2
SCHEMBL27954186 0.78 CTSS (0.44) CPA1CPB1CPA3CPB2PPARG
SCHEMBL1185574 0.78 CTSL (0.59) CTSLSLC7A5FOLH1PNMTMEN1
SCHEMBL14885330 0.74 CYP1A2 (0.55) FOLH1PNMTPPARGPPARA
SCHEMBL27954194 0.74 CTSS (0.46) FOLH1CPA1CPB1CPA3CPB2
SCHEMBL27954184 0.73 PTPRA (0.47) CPA1CPB1CPA3CPB2

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 3 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
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