SCHEMBL7968467

SCHEMBL7968467

CCc1ccc(-c2ccc(C3(c4ccc([N+](=O)[O-])cc4)OC(=O)C(O)=C3O)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
EGFR P00533 1/20 0.38
GAA P10253 2/20 0.37
NPBWR1 P48145 1/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
EDNRB P24530 1/20 0.36
EDNRA P25101 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.35
AR P10275 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
SCHEMBL7539856 0.81 ABCG2 (0.37) MAPTCA1CA2CA9RAB9A
SCHEMBL6026229 0.79 ADK (0.39) MAPTCA12CA1CA2CA9
SCHEMBL7971836 0.78 APP (0.49) MAPTMEN1KMT2ACA12CA9
SCHEMBL7966269 0.77 LMNA (0.40) MAPTLMNAHTTCA12CA9
SCHEMBL14071658 0.76 LOXL2 (0.55) MAPTMEN1KMT2ANPBWR1LMNA
SCHEMBL6932932 0.75 MDM2 (0.38) MAPTKMT2ANPC1RAB9AALDH1A1
SCHEMBL6932670 0.74 MDM2 (0.38) MAPTMEN1KMT2AHTTNPC1
SCHEMBL6932601 0.72 CFTR (0.43) MAPTMEN1KMT2AGAALMNA
SCHEMBL128402 0.71 LOXL2 (0.61) MAPTMEN1KMT2ANPBWR1ALDH1A1
SCHEMBL6026268 0.70 CFTR (0.39) MAPTMEN1KMT2AGAALMNA

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-6265436-B1 ANTIINFLAMMATORY AGENTS OXIS THERAPEUTICS INC. 2001-07-24 US disclosed