SCHEMBL8726503

SCHEMBL8726503

C[C@H](N)C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 1/20 0.53
HPGD P15428 1/20 0.53
KMT2A Q03164 1/20 0.53
MME P08473 1/20 0.47
ANPEP P15144 1/20 0.47
LTA4H P09960 1/20 0.46
CTRB1 P17538 3/20 0.46
MMP9 P14780 1/20 0.45
CTSK P43235 2/20 0.44
SLC15A1 P46059 1/20 0.44
CCKBR P32239 2/20 0.43
CTSL P07711 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
IL1RN P18510 1/20 0.43
ERAP2 Q6P179 1/20 0.43
ERAP1 Q9NZ08 1/20 0.43
CTSB P07858 1/20 0.43
POLB P06746 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
SCHEMBL8851538 1.00 ALDH1A1 (0.53) ALDH1A1MEN1HPGDKMT2AMME
SCHEMBL8851532 1.00 ALDH1A1 (0.53) ALDH1A1MEN1HPGDKMT2AMME
Hydrochloric Acid SCHEMBL3019477 0.99 ALDH1A1 (0.52) ALDH1A1MEN1HPGDKMT2AMME
Hydrochloric Acid SCHEMBL8726231 0.99 ALDH1A1 (0.52) ALDH1A1MEN1HPGDKMT2AMME
Hydrochloric Acid SCHEMBL7778325 0.99 ALDH1A1 (0.52) ALDH1A1MEN1HPGDKMT2AMME
SCHEMBL17534659 0.94 ALDH1A1 (0.52) ALDH1A1MEN1HPGDKMT2ALTA4H
SCHEMBL17534660 0.94 ALDH1A1 (0.52) ALDH1A1MEN1HPGDKMT2ALTA4H
SCHEMBL31560038 0.93 MEN1 (0.53) ALDH1A1MEN1HPGDKMT2AMME
SCHEMBL20583780 0.91 CTSL (0.53) ALDH1A1MEN1HPGDKMT2ALTA4H
SCHEMBL9437417 0.91 CTSL (0.53) ALDH1A1MEN1HPGDKMT2ALTA4H

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
WO-1998035982-A1 COMPOUNDS FOR USE IN ADEPT ZENECA LIMITED (GB) 1998-08-20 WO disclosed