SCHEMBL28588603

SCHEMBL28588603

CCCCCCCCCC[C@H](Cc1ccccc1)C(=O)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CSNK1E P49674 1/20 0.52
▸ MMP2 P08253 17/20 0.52
▸ MMP3 P08254 12/20 0.52
▸ MMP1 P03956 10/20 0.52
▸ MMP7 P09237 6/20 0.49
▸ FOLH1 Q04609 1/20 0.49
▸ CNR2 P34972 1/20 0.48

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
SCHEMBL28411865 0.87 CYP1A2 (0.53) FOLH1
SCHEMBL10955140 0.86 FOLH1 (0.66) CSNK1EMMP2MMP3MMP1MMP7
SCHEMBL10957172 0.86 FOLH1 (0.66) CSNK1EMMP2MMP3MMP1MMP7
SCHEMBL3242850 0.86 FOLH1 (0.66) CSNK1EMMP2MMP3MMP1MMP7
SCHEMBL9655121 0.86 FOLH1 (0.66) CSNK1EMMP2MMP3MMP1MMP7
SCHEMBL9209348 0.86 FOLH1 (0.66) CSNK1EMMP2MMP3MMP1MMP7
SCHEMBL9653480 0.86 FOLH1 (0.66) CSNK1EMMP2MMP3MMP1MMP7
SCHEMBL10960336 0.86 FOLH1 (0.66) CSNK1EMMP2MMP3MMP1MMP7
SCHEMBL5179711 0.86 FOLH1 (0.66) CSNK1EMMP2MMP3MMP1MMP7
SCHEMBL8555594 0.86 FOLH1 (0.66) CSNK1EMMP2MMP3MMP1MMP7

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-113004111-A Method for synthesizing (R) -psylla chinensis sex pheromone 中国农业大学 2021-06-22 — — CN disclosed
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