SCHEMBL28549063

SCHEMBL28549063

C#C[C@H](Cc1ccc(OC)cc1)OC(=O)NC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 1/20 0.46
▸ ACACB O00763 2/20 0.41
▸ ELANE P08246 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ MMP1 P03956 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ F2RL1 P55085 1/20 0.38

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
SCHEMBL28552846 0.82 LDHA (0.43) LDHAACACBELANEHTTF2RL1
SCHEMBL28912156 0.80 LDHA (0.51) LDHAACACBPOLBHTT
SCHEMBL28912154 0.80 LDHA (0.51) LDHAACACBPOLBHTT
SCHEMBL28912150 0.76 LDHA (0.42) LDHAACACBHTT
SCHEMBL28205400 0.75 CTSK (0.47) ACACB
SCHEMBL28562325 0.75 LDHA (0.41) LDHAACACBHTT
SCHEMBL28976537 0.73 SMN1; SMN2 (0.31) —
SCHEMBL28558430 0.72 LDHA (0.41) LDHAACACBPOLBHTTF2RL1
SCHEMBL25754099 0.72 ALDH1A1 (0.61) POLBMMP1MMP9HTTF2RL1
SCHEMBL28549065 0.72 PPARG (0.49) LDHAACACBMMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107848962-B Urea derivative or pharmacologically acceptable salt thereof 杏林制药株式会社 2021-04-09 — — CN disclosed
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