SCHEMBL5276459

SCHEMBL5276459

Cc1cc(OCC(=O)O)ccc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.64
RAB9A P51151 3/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
ALDH1A1 P00352 6/20 0.62
LMNA P02545 2/20 0.62
MCL1 Q07820 1/20 0.59
KDM4E B2RXH2 4/20 0.58
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
HTT P42858 1/20 0.57
MAPT P10636 3/20 0.56
TSHR P16473 1/20 0.54
POLB P06746 1/20 0.54
GAA P10253 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MAPK1 P28482 2/20 0.52

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
SCHEMBL27626461 0.86 NPC1 (0.62) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL213877 0.86 PTPN7 (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL27798824 0.85 ALDH1A1 (0.62) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL31255362 0.85 ALDH1A1 (0.62) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL8864730 0.84 NPC1 (0.60) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL10176161 0.84 MAPT (0.62) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL16285732 0.84 MAPT (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL3314184 0.82 LMNA (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL10870559 0.82 MAPT (0.71) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL8746685 0.82 MAPT (0.62) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1857440-A1 Novel compounds, isomer thereof, or pharmaceutically acceptable salts thereof as vanilloid receptor antagonist; and pharmaceutical compositions containing the same Amorepacific Corporation (KR) 2007-11-21 EP disclosed
EP-0069585-B1 COLOR-FORMING SULFONAMIDODIPHENYLAMINES, PHOTOGRAPHIC ELEMENTS CONTAINING THEM AND CORRESPONDING SULFONIMIDE DYES EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1985-07-03 EP disclosed
US-4499304-A COLOR PHOTOGRAPHY;SILVER HALIDE EMULSIONS; PRINTING PLATES; IMAGES EASTMAN KODAK COMPANY (US) 1985-02-12 US disclosed