SCHEMBL2013833

SCHEMBL2013833

C/C=C(\C)CC1CCCC1=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
PTGS1 P23219 7/20 0.38
PTGS2 P35354 7/20 0.38
KMT2A Q03164 2/20 0.38
OPRK1 P41145 1/20 0.38
HTT P42858 1/20 0.38
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA4 P22748 3/20 0.36
CA6 P23280 2/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL2013836 1.00 NPC1 (0.40) NPC1RAB9ASMN1; SMN2LMNAPTGS1
SCHEMBL21212720 0.81 KMT2A (0.37) NPC1RAB9ASMN1; SMN2LMNAPTGS1
SCHEMBL1397437 0.80 NPC1 (0.45) NPC1RAB9ASMN1; SMN2LMNAPTGS1
SCHEMBL9079832 0.78 NPC1 (0.41) NPC1RAB9ASMN1; SMN2LMNAPTGS1
Formic Acid SCHEMBL29082589 0.74 NPC1 (0.41) NPC1RAB9ASMN1; SMN2LMNAPTGS1
SCHEMBL1188324 0.74 NPC1 (0.46) NPC1RAB9ASMN1; SMN2LMNAPTGS1
SCHEMBL1918364 0.74 L3MBTL1 (0.46) NPC1RAB9ASMN1; SMN2LMNAPTGS1
SCHEMBL23781975 0.73 PTGS1 (0.41) NPC1RAB9ASMN1; SMN2LMNAPTGS1
SCHEMBL1981599 0.73 CA1 (0.46) NPC1RAB9ASMN1; SMN2LMNAPTGS1
SCHEMBL13545147 0.73 PTGS1 (0.44) NPC1RAB9ASMN1; SMN2LMNAPTGS1

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
WO-2011073843-A1 ODORANT ALCOHOLS FIRMENICH SA (CH) 2011-06-23 WO disclosed