SCHEMBL27980356

SCHEMBL27980356

CCOc1ccc2c(c1)C(NC(=O)NC(=O)c1c(O)cccc1O)c1cc(OCC)ccc1-2

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PPIA P62937 17/20 0.60
▸ RAB9A P51151 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ FADS1 O60427 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HPGD P15428 1/20 0.39

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
SCHEMBL27980470 0.85 PPIA (0.62) PPIA
SCHEMBL27980139 0.81 PPIA (0.70) PPIA
SCHEMBL27980361 0.80 PPIA (0.72) PPIA
Resorcinol SCHEMBL27980357 0.76 NLRP3 (0.41) PPIARAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL27971369 0.76 PPIA (1.00) PPIA
SCHEMBL27980374 0.75 PPIA (1.00) PPIA
SCHEMBL28813875 0.75 PPIA (1.00) PPIA
SCHEMBL27980358 0.73 PPIA (1.00) PPIAMEN1LMNAKMT2A
SCHEMBL28813669 0.71 PPIA (0.68) PPIA
SCHEMBL27980327 0.71 PPIA (1.00) PPIA

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-103992245-A Substituted urea compound and use thereof UNIV EAST CHINA SCIENCE & TECH 2014-08-20 — — CN disclosed
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