SCHEMBL8377346

SCHEMBL8377346

O=C(O)c1c(F)c(Cl)cc(Cl)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.44
TTR P02766 1/20 0.41
KMO O15229 1/20 0.40
TSHR P16473 2/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
MAPK1 P28482 1/20 0.39
TPMT P51580 1/20 0.39
DAO P14920 3/20 0.38
TP53 P04637 1/20 0.38
CASP1 P29466 1/20 0.38
ALPL P05186 1/20 0.37
AKR1C4 P17516 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
AKR1C1 Q04828 1/20 0.37

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
SCHEMBL31490367 0.84 GAA (0.39) DPP4TTRKMOTSHRALDH1A1
SCHEMBL3577396 0.84 DPP4 (0.38) DPP4TTRKMOTSHRALDH1A1
SCHEMBL11060970 0.79 ALDH1A1 (0.48) TTRKMOTSHRALDH1A1SMN1; SMN2
SCHEMBL9693851 0.79 CA1 (0.36) DPP4TTRKMOTSHRALDH1A1
SCHEMBL31193466 0.77 DPP4 (0.60) DPP4KMOTSHRALDH1A1KDM4E
SCHEMBL667661 0.77 TTR (0.62) DPP4TTRTSHRALDH1A1SMN1; SMN2
SCHEMBL30816046 0.77 POLB (0.41) TSHRCASP1CA1CA2CA4
SCHEMBL5784974 0.77 DPP4 (0.43) DPP4TTRTSHRALDH1A1SMN1; SMN2
SCHEMBL5508917 0.77 CA1 (0.40) DPP4TTRKMOTSHRALDH1A1
SCHEMBL17274236 0.77 TTR (0.45) DPP4TTRTSHRAKR1C4AKR1C3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0757028-B1 Process for the preparation of aromatic carbonic acid esters CLARIANT GMBH (DE) 1999-12-29 EP disclosed
US-5874608-A Process for the preparation of esters of aromatic carboxylic acid HOECHST AKTIENGESELLSCHAFT (DE) 1999-02-23 US disclosed
US-5744628-A Process for the preparation of esters of aromatic carboxylic acids HOECHST AKTIENGESELLSCHAFT (DE) 1998-04-28 US disclosed
EP-0811601-A1 Process for the preparation of aromatic carbonic acid esters Clariant GmbH (DE) 1997-12-10 EP disclosed
EP-0757028-A1 Process for the preparation of aromatic carbonic acid esters HOECHST AKTIENGESELLSCHAFT (DE) 1997-02-05 EP disclosed