SCHEMBL8086966

SCHEMBL8086966

COc1nc2cc([N+](=O)[O-])cc(CNC(=O)CCC(=O)O)c2nc1OC

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
RXFP1 Q9HBX9 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
IMPDH2 P12268 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
GRK6 P43250 1/20 0.35

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
SCHEMBL8086955 0.91 TRPV1 (0.37) ALDH1A1MAPTRXFP1SMN1; SMN2TRPV1
SCHEMBL8078916 0.88 TRPV1 (0.48) ALDH1A1MAPTTRPV1MEN1KMT2A
SCHEMBL8085722 0.87 ALDH1A1 (0.42) ALDH1A1MAPTRXFP1SMN1; SMN2TRPV1
SCHEMBL8090408 0.85 KMT2A (0.41) ALDH1A1MAPTRXFP1SMN1; SMN2GLA
SCHEMBL8183409 0.84 TRPV1 (0.39) ALDH1A1MAPTRXFP1SMN1; SMN2TRPV1
SCHEMBL27462958 0.78 GRK6 (0.37) ALDH1A1MAPTL3MBTL1MEN1KMT2A
SCHEMBL8078887 0.78 POLB (0.41) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL8091960 0.78 ALOX5 (0.51) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL8086968 0.77 CTSB (0.43) ALDH1A1MAPTKMT2A
SCHEMBL8078889 0.76 HTT (0.39) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A

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-6080743-A AS CHEMICAL INTERMEIDATES FOR PREPARING DRUGS NOVARTIS AG (CH) 2000-06-27 US disclosed