SCHEMBL7285371

SCHEMBL7285371

CCCC[C@H](NC(=O)C(C)N(C(=O)OCc1ccccc1)c1cccc2ccccc12)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.46
ECE1 P42892 1/20 0.46
CTSL P07711 1/20 0.45
CTSS P25774 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
ACE P12821 3/20 0.41
CPA1 P15085 3/20 0.41
ACE2 Q9BYF1 3/20 0.41
CASP1 P29466 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 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
SCHEMBL7285383 1.00 MME (0.46) MMEECE1CTSLCTSSSIRT2
SCHEMBL7278943 0.85 MME (0.49) MMEECE1CTSLCTSSSIRT2
SCHEMBL7142898 0.82 SMPD2 (0.43) CASP1ALDH1A1HPGDKMT2AKDM4E
SCHEMBL7448373 0.82 SMPD2 (0.43) CASP1ALDH1A1HPGDKMT2AKDM4E
SCHEMBL7138305 0.80 CASP1 (0.41) CASP1ALDH1A1HPGDMEN1KMT2A
SCHEMBL8755316 0.78 EPHX1 (0.38) SIRT2SIRT1ALDH1A1HPGDMEN1
SCHEMBL9826099 0.77 ALDH1A1 (0.44) CASP1ALDH1A1HPGDMEN1KMT2A
SCHEMBL7279460 0.76 CTSL (0.46) MMEECE1CTSLCTSSSIRT2
SCHEMBL5050403 0.76 CPB1 (0.54) MMEECE1SIRT2SIRT1ACE
SCHEMBL7278952 0.76 CTSL (0.49) MMEECE1CTSLCTSSSIRT2

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
US-4851387-A RENIN INHIBITORS BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-07-25 US disclosed
EP-0264106-A2 5-Substituted amino-4-hydroxy-pentanoic acid derivatives and their use Banyu Pharmaceutical Co., Ltd. (JP) 1988-04-20 EP disclosed