SCHEMBL7328214

SCHEMBL7328214

CC(C)CNC(=O)[C@H](C(C)CO)N(NC(=O)[C@H](C)N(C(=O)OCc1ccccc1)C(=O)[C@H](C)N)C(=O)CCCCCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.37
ALOX5 P09917 2/20 0.33
KDM4A O75164 1/20 0.33
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
PHF8 Q9UPP1 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33
KMT2A Q03164 3/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
PKM P14618 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL7327734 0.78 ALOX5 (0.32) HPGDALOX5KDM4AKDM5AKDM4C
SCHEMBL7322597 0.76 ALOX5 (0.33) HPGDALOX5KDM4AKDM5AKDM4C
SCHEMBL10953109 0.75 LGMN (0.41) HPGDKMT2AMEN1
SCHEMBL9754438 0.75 ALOX5 (0.32) HPGDALOX5KDM4AKDM5AKDM4C
SCHEMBL9296616 0.73 CA2 (0.34) HPGDKMT2AMEN1
SCHEMBL7322813 0.72 CTSD (0.37)
SCHEMBL9754553 0.72 KDM4A (0.32) ALOX5KDM4AKDM5AKDM4CPHF8
SCHEMBL7332099 0.69 LNPEP (0.37) HPGD
SCHEMBL27899925 0.68 ABCB1 (0.44) HPGDKMT2AMEN1ALDH1A1LMNA
SCHEMBL7329900 0.68 MMP8 (0.31)

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
EP-0352000-A2 Retroviral protease binding peptides SMITHKLINE BEECHAM CORPORATION (US) 1990-01-24 EP disclosed