SCHEMBL9706212

SCHEMBL9706212

NC(=O)[C@H](Cc1ccccc1)NCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.51
MEP1B Q16820 2/20 0.51
PSMB5 P28074 1/20 0.51
SIGMAR1 Q99720 1/20 0.50
ANPEP P15144 1/20 0.49
HPGDS O60760 2/20 0.48
ATM Q13315 1/20 0.48
SRR Q9GZT4 1/20 0.47
ALPI P09923 1/20 0.47
PKM P14618 1/20 0.47
PTGS1 P23219 1/20 0.47
XIAP P98170 1/20 0.47
SLC7A5 Q01650 1/20 0.47
ELANE P08246 1/20 0.47

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
SCHEMBL8843830 1.00 EPHX1 (0.51) EPHX1MEP1BPSMB5SIGMAR1ANPEP
SCHEMBL18375339 0.92 ACE (0.51) MEP1BPSMB5HPGDSSLC7A5
SCHEMBL20362252 0.92 ACE (0.51) MEP1BPSMB5HPGDSSLC7A5
SCHEMBL11826525 0.86 SIGMAR1 (0.55) MEP1BPSMB5SIGMAR1ANPEPATM
SCHEMBL5597677 0.86 EPHX1 (0.51) EPHX1HPGDSALPIPKMPTGS1
SCHEMBL1576808 0.86 PDCD1 (0.49) EPHX1
SCHEMBL26523520 0.86 CYP1A2 (0.47) EPHX1
SCHEMBL5597679 0.86 EPHX1 (0.51) EPHX1HPGDSALPIPKMPTGS1
SCHEMBL5653982 0.86 PDCD1 (0.49) EPHX1
SCHEMBL5653973 0.86 PDCD1 (0.49) EPHX1

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
CN-1278791-A Process for the preparation of azacyclkylalkanoyl pseudotetrapeptides HOECHST PHARMA (US) 2001-01-03 CN disclosed
WO-1992011232-A1 CHELATING AGENTS NYCOMED IMAGING AS (NO) 1992-07-09 WO disclosed