SCHEMBL9602215

SCHEMBL9602215

C=C(C)Cc1cc(CCC)c(N)c(CCC)c1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.33
DHFR P00374 2/20 0.33
HMGCR P04035 1/20 0.31
IKBKB O14920 1/20 0.30
SKP2 Q13309 1/20 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
SCHEMBL9602783 0.85 HTT (0.41) GPR84DHFR
SCHEMBL31614612 0.78 DHFR (0.35) DHFRHMGCRSKP2
SCHEMBL6131303 0.78 GABRA1 (0.37) DHFR
SCHEMBL1100124 0.76 DHFR (0.41) DHFRIKBKB
SCHEMBL9602780 0.75 ALDH1A1 (0.41) DHFRSKP2
SCHEMBL9603220 0.72 ALDH1A1 (0.42) SKP2
SCHEMBL9603196 0.72 DHFR (0.44) DHFR
SCHEMBL5380950 0.71 DHFR (0.44) DHFRIKBKB
SCHEMBL9326441 0.71 ALDH1A1 (0.38) HMGCRIKBKB
SCHEMBL6131314 0.70 SKP2 (0.47) GPR84SKP2

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
US-5198516-A THERMALLY STABLE BISIMIDO/P-ALLYLANILINE COPOLYMERS CIBA-GEIGY CORPORATION (US) 1993-03-30 US disclosed