SCHEMBL27954186

SCHEMBL27954186

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 1/20 0.44
▸ CTSK P43235 1/20 0.44
▸ MME P08473 3/20 0.43
▸ CPA1 P15085 5/20 0.42
▸ CPB1 P15086 1/20 0.40
▸ CPA3 P15088 1/20 0.40
▸ CPB2 Q96IY4 1/20 0.40
▸ PPARA Q07869 3/20 0.38
▸ PPARG P37231 2/20 0.38
▸ ACE P12821 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ PPARD Q03181 1/20 0.37
▸ MMP2 P08253 1/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ MMP12 P39900 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
SCHEMBL27756525 0.87 KMT2A (0.48) MMECPA1CPB1CPA3CPB2
SCHEMBL1915658 0.84 CTSS (0.47) CTSSCTSKMMECPA1CPB1
SCHEMBL1915661 0.84 CTSS (0.47) CTSSCTSKMMECPA1CPB1
SCHEMBL27954194 0.80 CTSS (0.46) CTSSCTSKCPA1CPB1CPA3
SCHEMBL27944378 0.78 CTSL (0.47) CPA1CPB1CPA3CPB2PPARA
SCHEMBL27954191 0.78 CYP3A4 (0.43) CPA1CPB1CPA3CPB2
SCHEMBL19377835 0.76 MMP2 (0.48) CTSSCTSKMMECPA1CPB1
SCHEMBL19377834 0.76 MMP2 (0.48) CTSSCTSKMMECPA1CPB1
SCHEMBL16798329 0.75 CTSS (0.56) CTSSCTSKPPARG
SCHEMBL27944387 0.75 PPARG (0.41) CTSKCPA1CPB1CPA3CPB2

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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