SCHEMBL8889147

SCHEMBL8889147

COc1ccc(CC2=C(C(=O)O)N3C(=O)[C@@H](Br)[C@H]3S2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.46
RXFP1 Q9HBX9 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
IDH1 O75874 2/20 0.38
ALDH1A1 P00352 3/20 0.37
GAA P10253 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SAE1 Q9UBE0 1/20 0.36
UBA2 Q9UBT2 1/20 0.36
HSD17B3 P37058 2/20 0.36
ERCC5 P28715 2/20 0.36
FEN1 P39748 1/20 0.36
LTA4H P09960 1/20 0.36
CCR1 P32246 1/20 0.36
LDHA P00338 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL5907437 0.81 ELANE (0.41) ELANEL3MBTL1ALDH1A1GAAKMT2A
SCHEMBL679071 0.81 ELANE (0.41) ELANEL3MBTL1ALDH1A1GAAKMT2A
SCHEMBL9538102 0.77 ELANE (0.37) ELANEKMT2AKDM4EHSD17B10MEN1
SCHEMBL9478030 0.71 TDP1 (0.61) L3MBTL1IDH1ALDH1A1KMT2AKDM4E
SCHEMBL9478037 0.71 TDP1 (0.61) L3MBTL1IDH1ALDH1A1KMT2AKDM4E
SCHEMBL10419993 0.70 ELANE (0.46) ELANERXFP1L3MBTL1KMT2ANPC1
SCHEMBL9782704 0.69 ELANE (0.53) ELANEPOLBSMN1; SMN2
SCHEMBL9782546 0.69 ELANE (0.67) ELANEIDH1KMT2APOLBMEN1
SCHEMBL8806354 0.68 ELANE (0.40) ELANEPOLB
SCHEMBL8809929 0.68 ELANE (0.38) ELANEALDH1A1KMT2AKDM4EHSD17B10

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
US-5602250-A ANTIBIOTICS, BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM P.L.C. (GB) 1997-02-11 US disclosed