SCHEMBL8963311

SCHEMBL8963311

CCCCc1ccc(CCCC)c(P)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.47
TYR P14679 2/20 0.44
HPGD P15428 2/20 0.42
HTT P42858 2/20 0.42
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CA2 P00918 2/20 0.41
CA1 P00915 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
HTR1A P08908 1/20 0.40
GPR3 P46089 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ESR1 P03372 2/20 0.38
ADRA2A P08913 2/20 0.38
ADORA3 P0DMS8 2/20 0.38
TACR2 P21452 2/20 0.38
SLC6A2 P23975 2/20 0.38

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
SCHEMBL8963310 0.84 SKP2 (0.47) SKP2TYRHPGDHTTNPC1
SCHEMBL8963358 0.83 CNR1 (0.45) SKP2NPC1RAB9ACA2ALOX5
SCHEMBL9485320 0.81 SKP2 (0.52) SKP2TYRHPGDHTTNPC1
SCHEMBL28004760 0.79 SKP2 (0.50) SKP2TYRHPGDHTTNPC1
SCHEMBL5054848 0.78 SKP2 (0.48) SKP2TYRHPGDHTTNPC1
SCHEMBL83489 0.76 SKP2 (0.61) SKP2TYRHPGDHTTNPC1
SCHEMBL83606 0.76 TYR (0.69) SKP2TYRHPGDHTTNPC1
SCHEMBL9734644 0.75 SKP2 (0.50) SKP2TYRHPGDHTTNPC1
SCHEMBL8561136 0.75 CYP3A4 (0.50) TYRHTTMAPK1ALDH1A1HSD17B10
SCHEMBL6288736 0.74 SKP2 (0.46) SKP2TYRHPGDHTTNPC1

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