SCHEMBL7417244

SCHEMBL7417244

CSCC[C@@](Cc1ccccc1)(NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
CA1 P00915 3/20 0.40
CA12 O43570 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
CTSS P25774 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPRB P23467 1/20 0.40
ACP1 P24666 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 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
SCHEMBL7417247 1.00 MEN1 (0.46) MEN1KMT2ANPC1RAB9AITGB3
SCHEMBL7385326 0.86 MEN1 (0.43) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL7271033 0.85 KMT2A (0.52) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL13774925 0.84 KMT2A (0.47) MEN1KMT2ANPC1RAB9AITGB3
SCHEMBL2921263 0.83 HTT (0.51) MEN1KMT2ANPC1RAB9AITGB3
SCHEMBL2917076 0.83 HTT (0.51) MEN1KMT2ANPC1RAB9AITGB3
SCHEMBL10448019 0.81 HTT (0.56) MEN1KMT2ANPC1RAB9AITGB3
SCHEMBL8915981 0.80 HTT (0.50) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL8981083 0.79 MEN1 (0.52) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL8981259 0.78 MEN1 (0.55) MEN1KMT2ANPC1RAB9AALDH1A1

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
EP-0299963-B1 RENIN INHIBITORS HAVING A LACTAM PSEUDO DIPEPTIDE THE UPJOHN COMPANY (US) 1991-05-15 EP disclosed
EP-0299963-A1 RENIN INHIBITORS HAVING A LACTAM PSEUDO DIPEPTIDE. UPJOHN CO (US) 1989-01-25 EP disclosed
US-4705846-A Novel renin inhibiting peptides having a gamma lactam pseudo dipeptide insert THE UPJOHN COMPANY (US) 1987-11-10 US disclosed
WO-1987005909-A2 RENIN INHIBITORS HAVING A LACTAM PSEUDO DIPEPTIDE THE UPJOHN COMPANY (US) 1987-10-08 WO disclosed