SCHEMBL8963358

SCHEMBL8963358

CCCc1ccc(CCC)c(P)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
ALOX5 P09917 2/20 0.43
LPL P06858 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
GABRA1 P14867 3/20 0.37
GABRB2 P47870 3/20 0.37
CA2 P00918 1/20 0.35
MGLL Q99685 1/20 0.33
PLK1 P53350 1/20 0.33
SKP2 Q13309 1/20 0.33
PDK2 Q15119 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
GFER P55789 1/20 0.33

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
SCHEMBL8963311 0.83 SKP2 (0.47) ALOX5CA2SKP2NPC1MAPT
SCHEMBL9740304 0.79 CNR1 (0.50) CNR1CNR2ALOX5LPLLIPG
SCHEMBL5953580 0.78 CNR1 (0.45) CNR1CNR2ALOX5LPLLIPG
SCHEMBL13522277 0.78 NPC1 (0.39) NPC1MAPTRAB9A
SCHEMBL20634844 0.77 CNR1 (0.44) CNR1CNR2LPLLIPGMAPT
SCHEMBL5048783 0.76 CNR1 (0.47) CNR1CNR2ALOX5LPLLIPG
SCHEMBL1005901 0.74 CNR1 (0.61) CNR1CNR2ALOX5GABRA1GABRB2
SCHEMBL8781871 0.74 SKP2 (0.46) CNR1CNR2ALOX5LPLLIPG
SCHEMBL12045765 0.74 ALOX5 (0.47) CNR1CNR2ALOX5LPLLIPG
SCHEMBL8781870 0.74 CNR1 (0.45) CNR1CNR2ALOX5LPLLIPG

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