SCHEMBL9750029

SCHEMBL9750029

CCCCCCCCCCOC(O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 3/20 0.49
NAAA Q02083 2/20 0.46
TSHR P16473 2/20 0.45
ALDH1A1 P00352 2/20 0.45
ASAH1 Q13510 2/20 0.44
TP53 P04637 1/20 0.44
PLA2G4B P0C869 2/20 0.43
LTA4H P09960 1/20 0.43
ACER2 Q5QJU3 1/20 0.43

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
SCHEMBL28403155 1.00 NPC1 (0.51) NPC1RAB9ASMN1; SMN2LMNANAAA
SCHEMBL10430492 1.00 NPC1 (0.51) NPC1RAB9ASMN1; SMN2LMNANAAA
SCHEMBL29211021 1.00 NPC1 (0.51) NPC1RAB9ASMN1; SMN2LMNANAAA
SCHEMBL9750132 1.00 NPC1 (0.51) NPC1RAB9ASMN1; SMN2LMNANAAA
SCHEMBL4850677 1.00 NPC1 (0.51) NPC1RAB9ASMN1; SMN2LMNANAAA
SCHEMBL28706904 1.00 NPC1 (0.51) NPC1RAB9ASMN1; SMN2LMNANAAA
SCHEMBL10618772 1.00 NPC1 (0.51) NPC1RAB9ASMN1; SMN2LMNANAAA
SCHEMBL28903655 1.00 NPC1 (0.51) NPC1RAB9ASMN1; SMN2LMNANAAA
SCHEMBL9252653 0.98 LMNA (0.50) NPC1RAB9ASMN1; SMN2LMNANAAA
Benzene SCHEMBL28115200 0.98 LMNA (0.50) NPC1RAB9ASMN1; SMN2LMNANAAA

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
EP-0315912-B1 SEBOSUPPRESSIVE PREPARATIONS Henkel Kommanditgesellschaft auf Aktien (DE) 1992-06-17 EP disclosed
EP-0315912-A1 Sebosuppressive preparations Henkel Kommanditgesellschaft auf Aktien (DE) 1989-05-17 EP disclosed