SCHEMBL8960104

SCHEMBL8960104

C=C=C1N=Cc2cc(CCCC)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.37
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
NFKB1 P19838 2/20 0.35
NFKB2 Q00653 2/20 0.35
RELA Q04206 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPK1 P28482 2/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
GPR3 P46089 1/20 0.35
PSMB5 P28074 1/20 0.35
GAA P10253 1/20 0.35
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 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
SCHEMBL8959993 0.96 GPR3 (0.40) TP53GPR3PPARGPPARA
SCHEMBL8960164 0.94 GPR3 (0.42) TP53GPR3PPARGPPARA
SCHEMBL8960040 0.94 GPR3 (0.42) TP53GPR3PPARGPPARA
SCHEMBL8959946 0.94 GPR3 (0.42) TP53GPR3PPARGPPARA
SCHEMBL8960160 0.94 GPR3 (0.42) TP53GPR3PPARGPPARA
SCHEMBL8960185 0.94 GPR3 (0.42) TP53GPR3PPARGPPARA
SCHEMBL8959889 0.94 GPR3 (0.42) TP53GPR3PPARGPPARA
SCHEMBL8959969 0.91 CNR1 (0.39) MAPK1GAAHTTNPSR1
SCHEMBL2037494 0.70 SKP2 (0.48) SKP2NPC1RAB9ANFKB1NFKB2
SCHEMBL27633406 0.65 SKP2 (0.43) SKP2NPC1RAB9ANFKB1NFKB2

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-5510456-A Bridged cyclic arleneethylene polymers SHOWA DENKO K. K. (JP) 1996-04-23 US disclosed