SCHEMBL8963308

SCHEMBL8963308

CCCc1ccc(P(c2ccc(CCC)cc2CCC)c2ccc(CCC)cc2CCC)c(CCC)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
ALOX5 P09917 2/20 0.42
GABRA1 P14867 3/20 0.36
GABRB2 P47870 3/20 0.36
LPL P06858 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
BACE1 P56817 1/20 0.35
CA2 P00918 1/20 0.34
MGLL Q99685 1/20 0.32
PLK1 P53350 1/20 0.32
SKP2 Q13309 1/20 0.32
PDK2 Q15119 1/20 0.32

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
SCHEMBL6288736 0.84 SKP2 (0.46) CA2SKP2
SCHEMBL6291611 0.81 ESR1 (0.47) LPLLIPGMGLL
SCHEMBL9740304 0.78 CNR1 (0.50) CNR1CNR2ALOX5GABRA1GABRB2
SCHEMBL10606596 0.75 GPR3 (0.48) LPLLIPG
SCHEMBL1263571 0.74 CNR1 (0.47) CNR1CNR2ALOX5GABRA1GABRB2
SCHEMBL5048783 0.74 CNR1 (0.47) CNR1CNR2ALOX5GABRA1GABRB2
SCHEMBL6291618 0.74 TRPA1 (0.41) BACE1CA2
SCHEMBL7294423 0.72 CNR1 (0.45) CNR1CNR2ALOX5GABRA1GABRB2
SCHEMBL7637395 0.72 CNR1 (0.45) CNR1CNR2ALOX5GABRA1GABRB2
SCHEMBL9100129 0.72 CNR1 (0.45) CNR1CNR2ALOX5GABRA1GABRB2

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-5481049-A REACTING CONJUGATED DIENE AND WATER IN PRESENCE OF CARBON DIOXIDE, USING PALLADIUM COMPOUND AND A FREE PHOSPHINE AS CATALYSTS MITSUBISHI CHEMICAL CORPORATION (JP) 1996-01-02 US disclosed