SCHEMBL30153253

SCHEMBL30153253

CCCCC=C(C)C(=O)N(NC)NC

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.36
GRIK1 P39086 1/20 0.33
TSHR P16473 1/20 0.32
CCR2 P41597 1/20 0.32
F7 P08709 1/20 0.32
F3 P13726 1/20 0.32
TRPA1 O75762 1/20 0.32
HSP90AA1 P07900 1/20 0.31
CNR1 P21554 2/20 0.30
CNR2 P34972 2/20 0.30
TRPV1 Q8NER1 2/20 0.30

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
SCHEMBL9311791 0.89 ALDH1A1 (0.32) GRIK1
SCHEMBL29378381 0.89 ALDH1A1 (0.32) GRIK1
SCHEMBL30153402 0.84 EP300 (0.35) EP300GRIK1TSHRCCR2F7
SCHEMBL29445569 0.80
SCHEMBL29445568 0.80
SCHEMBL31416613 0.79 ALDH1A1 (0.40) EP300GRIK1TSHRCCR2F7
SCHEMBL28088449 0.77 CA12 (0.38) EP300GRIK1TSHRCCR2F7
SCHEMBL28205531 0.76 CA12 (0.38) EP300GRIK1TSHRF7F3
SCHEMBL28814599 0.75 CCR2 (0.40) EP300GRIK1TSHRCCR2F7
SCHEMBL309931 0.73 EP300 (0.45) EP300GRIK1TSHRF7F3

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-111868098-B Method for producing conjugated diene rubber 日本瑞翁株式会社 2022-12-23 CN disclosed