SCHEMBL9501182

SCHEMBL9501182

O=C(O)c1c(Cl)ccc(CCl)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.50
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TSHR P16473 3/20 0.36
CLCN2 P51788 1/20 0.36
METAP2 P50579 1/20 0.35
TP53 P04637 1/20 0.35
FEN1 P39748 1/20 0.35
PBRM1 Q86U86 1/20 0.34
GAA P10253 1/20 0.33
FABP3 P05413 1/20 0.33
FABP4 P15090 1/20 0.33
MAPK1 P28482 1/20 0.33
MCL1 Q07820 1/20 0.33

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
SCHEMBL21875870 0.84 DPP4 (0.50) DPP4ALDH1A1KDM4EHSD17B10TSHR
SCHEMBL1671686 0.82 DPP4 (0.48) DPP4ALDH1A1KDM4EHSD17B10TSHR
Hydrochloric Acid SCHEMBL1673165 0.81 DPP4 (0.47) DPP4ALDH1A1KDM4EHSD17B10TSHR
2,3,6-Trichlorobenzoic Acid SCHEMBL117071 0.78 DPP4 (0.62) DPP4ALDH1A1KDM4EHSD17B10TSHR
2,3,6-Trichlorobenzoic Acid SCHEMBL29365114 0.78 DPP4 (0.62) DPP4ALDH1A1KDM4EHSD17B10TSHR
2,3,6-Trichlorobenzoic Acid SCHEMBL10490012 0.76 DPP4 (0.60) DPP4ALDH1A1KDM4EHSD17B10TSHR
SCHEMBL14167400 0.75 BID (0.51) DPP4KDM4EHSD17B10MCL1
SCHEMBL486824 0.75 DPP4 (0.71) DPP4ALDH1A1KDM4EHSD17B10TSHR
SCHEMBL16702731 0.73 DPP4 (0.68) DPP4ALDH1A1KDM4EHSD17B10TSHR
SCHEMBL28737172 0.73 DPP4 (0.68) DPP4ALDH1A1KDM4EHSD17B10TSHR

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-5250696-A Treatment of degenerative diseases STERLING WINTHROP INC. (US) 1993-10-05 US disclosed