SCHEMBL23925244

SCHEMBL23925244

C=CCC[C@@H]1CCCC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA4 P22748 3/20 0.33
CA6 P23280 2/20 0.33
PTGS1 P23219 3/20 0.33
PTGS2 P35354 3/20 0.33
KMT2A Q03164 2/20 0.33
OPRK1 P41145 1/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.30

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
SCHEMBL25259222 1.00 FAAH (0.41) FAAHNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL1363870 0.94 KDM4E (0.44) FAAHNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL3305780 0.89 FAAH (0.44) FAAHNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL21859013 0.87 FAAH (0.40) FAAHNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL21859005 0.87 FAAH (0.40) FAAHNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL31558663 0.87 FAAH (0.40) FAAHNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL23672278 0.85 FAAH (0.39) FAAHNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL21859010 0.85 FAAH (0.39) FAAHNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL23675940 0.83 NPC1 (0.35) NPC1RAB9ASMN1; SMN2LMNAKDM4E
SCHEMBL15423555 0.79

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-4097199-A1 ODORANT COMPOUND Firmenich SA (CH) 2022-12-07 EP disclosed
WO-2021209393-A1 ODORANT COMPOUND FIRMENICH SA (CH) 2021-10-21 WO disclosed