SCHEMBL9429264

SCHEMBL9429264

CC=CC(=O)N(c1ccc(-c2ccc(C(=O)OCC)cc2)s1)C1CCNC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRF1 P14222 1/20 0.39
WRN Q14191 1/20 0.37
RAB9A P51151 2/20 0.36
FDFT1 P37268 1/20 0.36
SLC6A2 P23975 7/20 0.36
SLC6A4 P31645 7/20 0.36
SLC6A3 Q01959 5/20 0.36
CYP2D6 P10635 3/20 0.36
CHRM3 P20309 1/20 0.36
KCNH2 Q12809 1/20 0.36
PCSK9 Q8NBP7 1/20 0.35
KDM4E B2RXH2 2/20 0.33
RARA P10276 1/20 0.33
RARB P10826 1/20 0.33
RARG P13631 1/20 0.33
NPC1 O15118 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MAPT P10636 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 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
SCHEMBL9429798 0.87 CDK2AP1 (0.35) RAB9ASLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL9429644 0.85 APP (0.37) RAB9AKDM4ENPC1MAPT
SCHEMBL9429417 0.83 ERCC5 (0.39) SLC6A2SLC6A4SLC6A3
SCHEMBL9428421 0.83 RAB9A (0.39) RAB9AFDFT1SLC6A2SLC6A4SLC6A3
SCHEMBL9428532 0.83 MCHR1 (0.40) PRF1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL9429749 0.83 EP300 (0.35) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL9429795 0.82 SLC6A4 (0.34) SLC6A2SLC6A4SLC6A3CYP2D6CHRM3
SCHEMBL9428841 0.82 HSD17B1 (0.38) RAB9ASLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL9428671 0.82 MMP13 (0.33) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL9428834 0.80 SLC6A4 (0.39) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5328907-A Treatment of allograft rejection in mammals and antiinflammatory agents SYNTEX (U.S.A.) INC. (US) 1994-07-12 US disclosed
US-5108999-A For treating inflammation, autoimmune disease or allograft rejection in mammals SYNTEX (U.S.A.) INC. (US) 1992-04-28 US disclosed
EP-0440503-A1 4-Isoxazolecarboxamide derivatives SYNTEX (U.S.A.) INC. (US) 1991-08-07 EP disclosed
US-5001124-A 4-isoxazolecarboxamide derivatives SYNTEX (U.S.A.) INC. (US) 1991-03-19 US disclosed