SCHEMBL10126072

SCHEMBL10126072

COC(=O)[C@H](Cc1ccc(O)cc1O)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.51
SLC17A5 Q9NRA2 1/20 0.49
PTPN1 P18031 2/20 0.49
CASP3 P42574 2/20 0.46
KMT2A Q03164 1/20 0.46
MDM4 O15151 3/20 0.44
TP53 P04637 3/20 0.44
NLRP3 Q96P20 1/20 0.44
MDM2 Q00987 1/20 0.43

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
SCHEMBL29400330 0.85 MDM4 (0.52) EPHX2PTPN1CASP3KMT2AMDM4
SCHEMBL7984402 0.85 MDM4 (0.52) EPHX2PTPN1CASP3KMT2AMDM4
SCHEMBL21838224 0.85 MDM4 (0.52) EPHX2PTPN1CASP3KMT2AMDM4
SCHEMBL12563729 0.85 MDM4 (0.52) EPHX2PTPN1CASP3KMT2AMDM4
SCHEMBL30057042 0.85 MDM4 (0.52) EPHX2PTPN1CASP3KMT2AMDM4
SCHEMBL10126071 0.84 PTPN1 (0.45) EPHX2SLC17A5PTPN1CASP3KMT2A
SCHEMBL13767439 0.84 KMT2A (0.49) EPHX2SLC17A5KMT2ATP53
SCHEMBL28312907 0.83 MDM4 (0.47) EPHX2CASP3KMT2AMDM4TP53
SCHEMBL13132526 0.82 TP53 (0.44) EPHX2SLC17A5PTPN1CASP3KMT2A
SCHEMBL702055 0.82 LCK (0.55) EPHX2PTPN1CASP3KMT2AMDM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124368-B2 Fluorogenic protein kinase substrates Life Technologies Corporation (US) 2012-02-28 US disclosed
WO-2008016762-A1 FLUOROGENIC PROTEIN KINASE SUBSTRATES INVITROGEN CORPORATION (US) 2008-02-07 WO disclosed
US-20080009026-A1 FLUOROGENIC PROTEIN KINASE SUBSTRATES INVITROGEN CORPORATION (US) 2008-01-10 US disclosed