SCHEMBL7533138

SCHEMBL7533138

CC1C/C=C\CCCCCCCC(=O)C(CC(=O)O)C1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.33
PTGS2 P35354 2/20 0.33
KMT2A Q03164 2/20 0.33
OPRK1 P41145 1/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
TP53 P04637 1/20 0.31
ALDH1A1 P00352 2/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SHH Q15465 2/20 0.30
MAPT P10636 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
SCHEMBL7533135 1.00 PTGS1 (0.33) PTGS1PTGS2KMT2AOPRK1HTT
SCHEMBL7527929 0.78 TP53 (0.36) GAAL3MBTL1TP53
SCHEMBL7527936 0.78 TP53 (0.36) GAAL3MBTL1TP53
SCHEMBL7941037 0.73 ALOX15 (0.33) KMT2AKDM4EALDH1A1MAPT
SCHEMBL7941038 0.73 ALOX15 (0.33) KMT2AKDM4EALDH1A1MAPT
SCHEMBL4320902 0.69 KMT2A (0.52) KMT2AALDH1A1
SCHEMBL3602796 0.69 KDM4E (0.49) PTGS1PTGS2KMT2AOPRK1HTT
SCHEMBL11086697 0.69 KDM4E (0.49) PTGS1PTGS2KMT2AOPRK1HTT
SCHEMBL113356 0.69 KMT2A (0.52) KMT2AALDH1A1
SCHEMBL10505153 0.69 KDM4E (0.49) PTGS1PTGS2KMT2AOPRK1HTT

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-0983989-B1 Methylcyclotetradec-5-ene-1-one GIVAUDAN SA (CH) 2002-03-27 EP disclosed
EP-0983989-A1 Methylcyclotetradec-5-ene-1-one Givaudan Roure (International) S.A. (CH) 2000-03-08 EP disclosed