SCHEMBL9510110

SCHEMBL9510110

O=C(O)C1CNCC(Cc2ccccc2)C1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.46
MC4R P32245 1/20 0.44
TACR3 P29371 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC6A1 P30531 1/20 0.41
CTSD P07339 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTR2B P41595 1/20 0.40
MAPK14 Q16539 1/20 0.40

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
SCHEMBL15043257 0.88 GBA1 (0.44) GBA1MC4RTACR3MEN1KMT2A
SCHEMBL159264 0.84 KDM4E (0.47) MC4RL3MBTL1SLC6A1
SCHEMBL23121296 0.84 CHRNB2 (0.44) GBA1MC4RMEN1KMT2A
SCHEMBL7810455 0.83 GRIN2B (0.46) GBA1TACR3L3MBTL1MEN1KMT2A
SCHEMBL14256047 0.82 GBA1 (0.59) GBA1MC4R
SCHEMBL157235 0.82 L3MBTL1 (0.47) L3MBTL1MEN1KMT2A
SCHEMBL14256284 0.80 GBA1 (0.53) GBA1MC4RTACR3MEN1KMT2A
SCHEMBL4750669 0.80 GBA1 (0.53) GBA1MC4RTACR3MEN1KMT2A
SCHEMBL19190084 0.80 GBA1 (0.53) GBA1MC4RTACR3MEN1KMT2A
SCHEMBL27873233 0.79 GLA (0.47) L3MBTL1KMT2AGAA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0300462-B1 HETEROCYCLIC PEROXYCARBOXYLIC ACIDS AUSIMONT S.p.A. (IT) 1993-09-29 EP claimed
US-5071584-A Storage stable, heat resistant AUSIMONT S.P.A. (IT) 1991-12-10 US claimed
EP-0300462-A2 Heterocyclic peroxycarboxylic acids AUSIMONT S.p.A. (IT) 1989-01-25 EP claimed
EP-0300462-B1 HETEROCYCLIC PEROXYCARBOXYLIC ACIDS AUSIMONT S.p.A. (IT) 1993-09-29 EP disclosed
US-5071584-A Storage stable, heat resistant AUSIMONT S.P.A. (IT) 1991-12-10 US disclosed
EP-0300462-A2 Heterocyclic peroxycarboxylic acids AUSIMONT S.p.A. (IT) 1989-01-25 EP disclosed