SCHEMBL7299537

SCHEMBL7299537

Cc1ccc([S@@+]([O-])CC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)CCc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.45
F2 P00734 3/20 0.44
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
PKM P14618 1/20 0.42
CYP2C19 P33261 1/20 0.42
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FKBP1A P62942 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ACE P12821 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
SCHEMBL7299544 1.00 PRCP (0.45) PRCPF2CYP3A4CYP2C9PKM
SCHEMBL7299534 1.00 PRCP (0.45) PRCPF2CYP3A4CYP2C9PKM
SCHEMBL7306911 0.93 F2 (0.48) F2HPGDSMN1; SMN2ACE
SCHEMBL7306906 0.93 F2 (0.48) F2HPGDSMN1; SMN2ACE
SCHEMBL7306914 0.93 F2 (0.48) F2HPGDSMN1; SMN2ACE
SCHEMBL7304950 0.90 KMT2A (0.45) F2CYP2C9CYP2C19HPGDSMN1; SMN2
SCHEMBL7304955 0.90 KMT2A (0.45) F2CYP2C9CYP2C19HPGDSMN1; SMN2
SCHEMBL7304946 0.90 KMT2A (0.45) F2CYP2C9CYP2C19HPGDSMN1; SMN2
SCHEMBL7301163 0.87 MEN1 (0.48) F2
SCHEMBL7301151 0.87 MEN1 (0.48) F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5506256-A PREVENTION AND/OR TREATMENT OF DEMENTIA, AMNESIA YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-04-09 US claimed
EP-0468469-A2 Proline derivatives Japan Tobacco Inc. (JP) 1992-01-29 EP claimed
US-5506256-A PREVENTION AND/OR TREATMENT OF DEMENTIA, AMNESIA YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-04-09 US disclosed
EP-0468469-A2 Proline derivatives Japan Tobacco Inc. (JP) 1992-01-29 EP disclosed