SCHEMBL7357526

SCHEMBL7357526

CCOC(=O)C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H](C)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CA2 P00918 1/20 0.45
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.44
ITGA4 P13612 3/20 0.44
ITGB7 P26010 3/20 0.44
MAPT P10636 3/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
KCNJ1 P48048 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL7360017 1.00 MEN1 (0.46) MEN1KMT2ACA2NPC1TP53
SCHEMBL7357530 1.00 MEN1 (0.46) MEN1KMT2ACA2NPC1TP53
SCHEMBL4367089 0.90 CA2 (0.47) MEN1KMT2ACA2NPC1TP53
SCHEMBL5219151 0.90 CA2 (0.47) MEN1KMT2ACA2NPC1TP53
SCHEMBL5145676 0.90 CA2 (0.47) MEN1KMT2ACA2NPC1TP53
SCHEMBL4367118 0.90 CA2 (0.47) MEN1KMT2ACA2NPC1TP53
SCHEMBL4371582 0.90 CA2 (0.47) MEN1KMT2ACA2NPC1TP53
SCHEMBL4363617 0.90 CA2 (0.47) MEN1KMT2ACA2NPC1TP53
SCHEMBL9808260 0.89 KMT2A (0.47) MEN1KMT2ALMNAMAPTCRHBP
SCHEMBL7356411 0.89 KMT2A (0.47) MEN1KMT2ALMNAMAPTCRHBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0236307-B1 ANTIHYPERTENSIVE AGENTS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THE PREPARATION OF THE AGENTS AND COMPOSITIONS SCHERING CORPORATION (US) 1991-04-17 EP disclosed
US-4840772-A KIT WITH CONTAINERS OF AGENT TO REDUCE INTRAOCULAR PRESSURE AND ANTIINFLAMMATORY STEROID OR BETA-BLOCKER SCHERING CORPORATION (US) 1989-06-20 US disclosed
US-4783444-A SUBSTITUTED DIPEPTIDES SCHERING CORPORATION (US) 1988-11-08 US disclosed
EP-0236307-A1 ANTIHYPERTENSIVE AGENTS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THE PREPARATION OF THE AGENTS AND COMPOSITIONS. SCHERING CORP (US) 1987-09-16 EP disclosed
US-4691049-A Process for preparing a specific diastereomer of a monoamino dicarboxylic acid ester SCHERING CORPORATION (US) 1987-09-01 US disclosed
WO-1987001707-A1 ANTIHYPERTENSIVE AGENTS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THE PREPARATION OF THE AGENTS AND COMPOSITIONS SCHERING CORPORATION (US) 1987-03-26 WO disclosed
US-4584285-A Antihypertensive agents SCHERING CORPORATION (US) 1986-04-22 US disclosed