SCHEMBL9818005

SCHEMBL9818005

O=C(O)C(CCCC(C(=O)O)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 1/20 0.46
▸ ERAP2 Q6P179 1/20 0.46
▸ ERAP1 Q9NZ08 1/20 0.46
▸ CPA1 P15085 3/20 0.43
▸ FOLH1 Q04609 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ ITGA4 P13612 1/20 0.42
▸ ITGB7 P26010 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ TGM2 P21980 1/20 0.41
▸ CTSL P07711 1/20 0.41
▸ ATM Q13315 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
SCHEMBL10432184 0.85 MC4R (0.47) TDP1ITGA4ITGB7RAB9ATGM2
SCHEMBL8588884 0.76 MEN1 (0.43) ANPEPERAP2ERAP1ITGA4ITGB7
SCHEMBL9666776 0.76 CPA1 (0.52) ANPEPERAP2ERAP1CPA1ITGA4
SCHEMBL7141466 0.76 CYP1A2 (0.67) ANPEPERAP2ERAP1CPA1FOLH1
SCHEMBL4357291 0.75 EPOR (0.46) TDP1RAB9A
SCHEMBL9307089 0.74 CTRB1 (0.49) TDP1
SCHEMBL4852056 0.74 EPOR (0.46) FOLH1TDP1
SCHEMBL10477497 0.74 EPOR (0.46) FOLH1TDP1
SCHEMBL9574165 0.74 EPOR (0.46) FOLH1TDP1
SCHEMBL1491987 0.73 EPOR (0.51) FOLH1

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
EP-0302799-B1 PROCESS FOR THE PREPARATION OF L,L OR D,D OR RACEMIC N6-BENZYLOXYCARBONYL-2,6-DIAMINO-PIMELAMIC ACID RHONE-POULENC SANTE (FR) 1991-10-09 — — EP claimed
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