SCHEMBL21859010

SCHEMBL21859010

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.39
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
ABCC4 O15439 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
PTGS1 P23219 2/20 0.30
PTGS2 P35354 2/20 0.30
OPRK1 P41145 1/20 0.30
HTT P42858 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
SCHEMBL23672278 1.00 FAAH (0.39) FAAHNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL31558663 0.98 FAAH (0.40) FAAHNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL21859005 0.98 FAAH (0.40) FAAHNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL21859013 0.98 FAAH (0.40) FAAHNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL3305780 0.93 FAAH (0.44) FAAHNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL25259222 0.85 FAAH (0.41) FAAHNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL23925244 0.85 FAAH (0.41) FAAHNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL1363870 0.80 KDM4E (0.44) FAAHNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL11107701 0.78 NPC1 (0.44) NPC1RAB9ASMN1; SMN2LMNAKDM4E
SCHEMBL11058566 0.77 KDM4E (0.50) NPC1RAB9ASMN1; SMN2LMNAKDM4E

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-3775119-A1 CYCLOPENTANONE COMPOUNDS Firmenich SA (CH) 2021-02-17 EP disclosed
WO-2020078892-A1 CYCLOPENTANONE COMPOUNDS FIRMENICH SA (CH) 2020-04-23 WO disclosed