SCHEMBL9763203

SCHEMBL9763203

CCOC(=O)C(=O)[C@@H]1CCCN1C(=O)C=Cc1ccc(OCCCCc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.51
S1PR1 P21453 3/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
S1PR3 Q99500 1/20 0.43
FKBP1A P62942 5/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL7293139 0.90 APP (0.51) APPS1PR1CYP2C19MEN1KMT2A
SCHEMBL7293144 0.90 APP (0.51) APPS1PR1CYP2C19MEN1KMT2A
SCHEMBL8994528 0.84 S1PR1 (0.47) APPS1PR1LMNAMEN1KMT2A
SCHEMBL450847 0.81 HRH3 (0.52) APPS1PR1MEN1KMT2AS1PR3
SCHEMBL450848 0.81 HRH3 (0.52) APPS1PR1MEN1KMT2AS1PR3
SCHEMBL7284483 0.79 S1PR1 (0.48) APPS1PR1MEN1KMT2AS1PR3
SCHEMBL7284489 0.79 S1PR1 (0.48) APPS1PR1MEN1KMT2AS1PR3
SCHEMBL9873982 0.73 ALDH1A1 (0.61) KDM4ELMNAMEN1KMT2AL3MBTL1
SCHEMBL9257303 0.73 MEN1 (0.52) LMNAMEN1KMT2AFKBP1ANPC1
SCHEMBL8994547 0.72 ACE (0.54) LMNASMN1; SMN2

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
US-5053414-A Thiazolidine derivatives, enzyme inhibitors; amnesia ONO PHARMACEUTICAL CO., LTD. (JP) 1991-10-01 US disclosed