SCHEMBL9754438

SCHEMBL9754438

COC(=O)N(C(=O)[C@H](C)N)[C@@H](C)C(=O)NCC(CO)C(N)C(=O)N(C(=O)CCCCCc1ccccc1)C(C(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.32
KDM4A O75164 1/20 0.32
KDM5A P29375 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
PHF8 Q9UPP1 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32
CES1 P23141 2/20 0.32
SLC15A1 P46059 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
SIRT3 Q9NTG7 1/20 0.31
HPGD P15428 1/20 0.31
MMP2 P08253 1/20 0.31
CA2 P00918 1/20 0.31
CA5A P35218 1/20 0.31
TLR2 O60603 2/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30

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 0.94 ALOX5 (0.32) ALOX5KDM4AKDM5AKDM4CPHF8
SCHEMBL7329315 0.86 ALOX5 (0.37) ALOX5KDM4AKDM5AKDM4CPHF8
SCHEMBL7324394 0.84 TPSAB1 (0.40) SIRT2SIRT1SIRT3CA2CA5A
SCHEMBL7329900 0.83 MMP8 (0.31) TLR2
SCHEMBL7322873 0.83 CES1 (0.35) ALOX5KDM4AKDM5AKDM4CPHF8
SCHEMBL7332099 0.82 LNPEP (0.37) HPGDCA2CA5A
SCHEMBL10377223 0.81 ERAP2 (0.36) TLR2
SCHEMBL7329240 0.80 CTSL (0.38) SIRT2SIRT1SIRT3CA5ATLR2
SCHEMBL7324594 0.80 CTSL (0.38) SIRT2SIRT1SIRT3CA5ATLR2
SCHEMBL7322952 0.80 CTSS (0.32) TLR2

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
WO-1991015121-A1 METHOD FOR TREATING FUNGAL INFECTION SMITHKLINE BEECHAM CORPORATION (US) 1991-10-17 WO claimed
WO-1991015121-A1 METHOD FOR TREATING FUNGAL INFECTION SMITHKLINE BEECHAM CORPORATION (US) 1991-10-17 WO disclosed