SCHEMBL7214711

SCHEMBL7214711

CCCCc1ccc(CNNCc2ccc(C(C)CC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CA2 P00918 2/20 0.40
HTR2A P28223 1/20 0.40
CA1 P00915 1/20 0.40
PLK1 P53350 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
UCHL3 P15374 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP2C9 P11712 1/20 0.37

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
SCHEMBL10977710 0.89 CA2 (0.47) SMN1; SMN2NPC1RAB9ACA2HTR2A
SCHEMBL11194070 0.84 RARB (0.50) CA2HTR2ACA1ALDH1A1HPGD
SCHEMBL28827751 0.82 HTR2A (0.56) HTR2AALDH1A1HSD17B10
SCHEMBL24021959 0.82 HTR2A (0.56) HTR2AALDH1A1HSD17B10
SCHEMBL20036657 0.78 LPL (0.43) NPC1RAB9ACA2ALDH1A1HPGD
SCHEMBL9838746 0.78 ESR1 (0.45) NPC1RAB9AALDH1A1HPGDHSD17B10
SCHEMBL25907712 0.78 UCHL3 (0.45) SMN1; SMN2NPC1RAB9ACA2HTR2A
SCHEMBL12018269 0.78 UCHL3 (0.45) SMN1; SMN2NPC1RAB9ACA2HTR2A
SCHEMBL13474954 0.77 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9ACA2CA1
SCHEMBL30368395 0.77 CA2 (0.46) SMN1; SMN2NPC1RAB9ACA2HTR2A

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
EP-1275662-A1 MODIFIED PARTICLE, SUPPORT, CATALYST COMPONENT FOR ADDITION POLYMERIZATION, CATALYST FOR ADDITION POLYMERIZATION, AND PROCESS FOR PRODUCING ADDITION POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-01-15 EP disclosed