SCHEMBL11057451

SCHEMBL11057451

CCCCCCCCCCCCCCCCCCOC(OCCCCCCCCCCCCCCCCCC)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LTA4H P09960 1/20 0.46
LMNA P02545 2/20 0.44
HTR2A P28223 1/20 0.44
TSHR P16473 3/20 0.43
ALDH1A1 P00352 1/20 0.43
KCNH2 Q12809 1/20 0.42
TP53 P04637 2/20 0.42
NAAA Q02083 2/20 0.41
DNM1 Q05193 1/20 0.41
PLA2G4B P0C869 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL9155398 1.00 NPC1 (0.47) NPC1RAB9ASMN1; SMN2LTA4HLMNA
SCHEMBL10761888 0.98 LTA4H (0.47) NPC1RAB9ASMN1; SMN2LTA4HLMNA
SCHEMBL10717745 0.92 LTA4H (0.47) NPC1RAB9ASMN1; SMN2LTA4HLMNA
SCHEMBL29048524 0.92 NPC1 (0.42) NPC1RAB9ASMN1; SMN2LTA4HLMNA
SCHEMBL15384168 0.91 NPC1 (0.43) NPC1RAB9ASMN1; SMN2LTA4HLMNA
SCHEMBL4384773 0.86 HTT (0.44) SMN1; SMN2LMNAHTR2ATSHRKCNH2
SCHEMBL2502300 0.85 NPC1 (0.43) NPC1RAB9ASMN1; SMN2LTA4HLMNA
SCHEMBL2502304 0.85 NPC1 (0.43) NPC1RAB9ASMN1; SMN2LTA4HLMNA
SCHEMBL28676094 0.85 KCNH2 (0.55) NPC1RAB9ASMN1; SMN2LMNAHTR2A
SCHEMBL27951679 0.85 KCNH2 (0.55) NPC1RAB9ASMN1; SMN2LMNAHTR2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4460445-A PROPYLENE POLYMERS MILLIKEN RESEARCH CORPORATION (US) 1984-07-17 US claimed
US-4460445-A PROPYLENE POLYMERS MILLIKEN RESEARCH CORPORATION (US) 1984-07-17 US disclosed