SCHEMBL9655951

SCHEMBL9655951

CO[C@H](C)[C@@H](NC(=O)[C@H](CS)NC(=O)Cc1cccc(C(=O)O)c1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 6/20 0.44
MEP1B Q16820 5/20 0.42
ANPEP P15144 1/20 0.41
ENPEP Q07075 1/20 0.41
MRGPRX4 Q96LA9 3/20 0.40
FNTA P49354 2/20 0.40
FNTB P49356 2/20 0.40
ADAMTS4 O75173 1/20 0.40
MMP13 P45452 1/20 0.40
MME P08473 1/20 0.40
PGGT1B P53609 1/20 0.40
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RXFP1 Q9HBX9 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
SCHEMBL9657153 0.89 MEP1B (0.50) FOLH1MEP1BANPEPENPEPFNTA
SCHEMBL9654344 0.89 MEP1B (0.50) FOLH1MEP1BANPEPENPEPFNTA
SCHEMBL10698881 0.81 FOLH1 (0.57) FOLH1MEP1BANPEPENPEPFNTA
SCHEMBL15387514 0.77 MME (0.55) MME
SCHEMBL9633609 0.77 MME (0.55) MME
SCHEMBL15387515 0.77 MME (0.55) MME
SCHEMBL9655967 0.76 ANPEP (0.43) FOLH1MEP1BANPEPENPEPMRGPRX4
SCHEMBL9655961 0.76 ANPEP (0.47) FOLH1ANPEPENPEPMRGPRX4FNTA
SCHEMBL16115820 0.75 POLB (0.54) RAB9ASMN1; SMN2
SCHEMBL10700246 0.74 FOLH1 (0.43) FOLH1MEP1BANPEPENPEPFNTA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0268343-B1 ENZYMATIC PROCESS FOR 3-SUBSTITUTED CEPHALOSPORINS THE CHANCELLOR, MASTERS AND SCHOLARS OF THE UNIVERSITY OF OXFORD (GB) 1992-05-27 EP disclosed
EP-0268343-A2 Enzymatic process for 3-substituted cephalosporins THE CHANCELLOR, MASTERS AND SCHOLARS OF THE UNIVERSITY OF OXFORD (GB) 1988-05-25 EP disclosed