SCHEMBL9715668

SCHEMBL9715668

O=C(O)[C@H](Cc1ccccc1)N(CF)P(=O)(O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 6/20 0.47
ANPEP P15144 3/20 0.47
CYP1A2 P05177 1/20 0.44
ACP3 P15309 1/20 0.42
ALPI P09923 1/20 0.42
PKM P14618 1/20 0.42
PTGS1 P23219 1/20 0.42
XIAP P98170 1/20 0.42
SLC7A5 Q01650 1/20 0.42
ERAP2 Q6P179 2/20 0.40
CPA1 P15085 2/20 0.40
CPA3 P15088 2/20 0.40
FOLH1 Q04609 1/20 0.40
CPB1 P15086 1/20 0.40
CPB2 Q96IY4 1/20 0.40
SRR Q9GZT4 1/20 0.39
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
ERAP1 Q9NZ08 1/20 0.39

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
SCHEMBL962281 1.00 LAP3 (0.47) LAP3ANPEPCYP1A2ACP3ALPI
SCHEMBL9715671 0.86 CYP1A2 (0.46) LAP3ANPEPCYP1A2ACP3ALPI
SCHEMBL958771 0.86 CYP1A2 (0.46) LAP3ANPEPCYP1A2ACP3ALPI
SCHEMBL9715674 0.84 CYP1A2 (0.44) LAP3ANPEPCYP1A2ACP3ALPI
SCHEMBL9715672 0.84 CYP1A2 (0.44) LAP3ANPEPCYP1A2ACP3ALPI
SCHEMBL9715663 0.84 CYP1A2 (0.44) LAP3ANPEPCYP1A2ACP3ALPI
SCHEMBL9715664 0.84 CYP1A2 (0.44) LAP3ANPEPCYP1A2ACP3ALPI
SCHEMBL14637889 0.80 CYP1A2 (0.50) LAP3ANPEPCYP1A2ACP3ALPI
SCHEMBL14637890 0.80 CYP1A2 (0.50) LAP3ANPEPCYP1A2ACP3ALPI
SCHEMBL1486794 0.80 ANPEP (0.48) LAP3ANPEPCYP1A2SLC7A5ERAP2

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
WO-1994007913-A1 PEPTIDE ANTAGONISTS OF SH2 BINDING AND THERAPEUTIC USES THEREOF WARNER-LAMBERT COMPANY (US) 1994-04-14 WO claimed
WO-1994007913-A1 PEPTIDE ANTAGONISTS OF SH2 BINDING AND THERAPEUTIC USES THEREOF WARNER-LAMBERT COMPANY (US) 1994-04-14 WO disclosed