SCHEMBL8820375

SCHEMBL8820375

COC(=O)C[C@@H](C)C(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.56
▸ POLB P06746 1/20 0.48
▸ MAPK1 P28482 1/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ ADRB2 P07550 1/20 0.47
▸ ADRB1 P08588 1/20 0.47
▸ ADRB3 P13945 1/20 0.47
▸ CES1 P23141 1/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ PTGS2 P35354 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ ALOX12 P18054 1/20 0.45

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
SCHEMBL11631320 0.83 TDP1 (0.53) MAPTPOLBMAPK1CES1RAB9A
SCHEMBL9781450 0.81 LMNA (0.52) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL2852910 0.80 RAB9A (0.62) MAPTPOLBMEN1KMT2ARAB9A
SCHEMBL24421736 0.80 MAPK1 (0.55) MAPK1CES1RAB9ANPC1TP53
SCHEMBL9734549 0.80 CA1 (0.48) MEN1KMT2AADRB2ADRB1ADRB3
SCHEMBL4710743 0.79 GAA (0.52) MAPTPOLBMEN1KMT2ANPC1
SCHEMBL9733728 0.78 ALDH1A1 (0.51) MEN1KMT2ACES1HTTLMNA
SCHEMBL9780181 0.78 KCNA5 (0.38) MAPTMEN1KMT2ARAB9AHTT
SCHEMBL28806881 0.78 ADRB2 (0.52) MAPTPOLBMAPK1MEN1KMT2A
SCHEMBL2848793 0.78 MAPT (0.54) MAPTPOLBMEN1KMT2ARAB9A

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
JP-9040601-A — — None — — JP disclosed
JP-H0940601-A PRODUCTION OF OPTICALLY ACTIVE KETONE DERIVATIVE AND THE SAME NIPPON SODA CO LTD 1997-02-10 — — JP disclosed
JP-H00940601-A — — 0001-01-01 — — JP disclosed
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