SCHEMBL9566836

SCHEMBL9566836

CCCCc1ccc(NC(=O)c2ccc(COC(=O)c3ccccc3)nc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 8/20 0.59
SMN1; SMN2 Q16637 4/20 0.53
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
GAA P10253 2/20 0.53
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
MEN1 O00255 2/20 0.46
PPARA Q07869 1/20 0.46
GPR35 Q9HC97 1/20 0.46

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
SCHEMBL9566843 0.87 TRPV1 (0.54) TRPV1SMN1; SMN2RAB9ANPC1GAA
SCHEMBL9566764 0.87 TRPV1 (0.60) TRPV1SMN1; SMN2RAB9ANPC1KDM4E
SCHEMBL9566854 0.86 TRPV1 (0.53) TRPV1SMN1; SMN2RAB9ANPC1GAA
SCHEMBL9566821 0.86 NR1H4 (0.54) SMN1; SMN2RAB9ANPC1GAAALDH1A1
SCHEMBL9566731 0.85 TRPV1 (0.56) TRPV1SMN1; SMN2RAB9ANPC1GAA
SCHEMBL9566777 0.84 P4HTM (0.61) SMN1; SMN2RAB9ANPC1GAAKDM4E
SCHEMBL9566817 0.84 TRPV1 (0.55) TRPV1SMN1; SMN2RAB9ANPC1GAA
SCHEMBL9566841 0.81 TRPV1 (0.60) TRPV1SMN1; SMN2RAB9ANPC1GAA
SCHEMBL9566799 0.78 CXCR2 (0.53) SMN1; SMN2RAB9ANPC1GAAKMT2A
SCHEMBL13181111 0.78 TRPV1 (0.88) TRPV1SMN1; SMN2RAB9ANPC1KDM4E

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
EP-0533130-A1 2-Hydroxymethylpyridines, the corresponding pyridine-N-oxides and derivatives thereof, process for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1993-03-24 EP disclosed