SCHEMBL9735811

SCHEMBL9735811

COCC1(C)C=C(Oc2ccc(=O)[nH]n2)c2cc([N+](=O)[O-])ccc2O1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CAPN9 O14815 1/20 0.33
CASP3 P42574 1/20 0.33
CYP3A4 P08684 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 2/20 0.32
KDM4E B2RXH2 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
NR3C1 P04150 1/20 0.32
PGR P06401 1/20 0.32
NR3C2 P08235 1/20 0.32
AR P10275 1/20 0.32
SNCA P37840 1/20 0.31
GSK3B P49841 1/20 0.31
GRK6 P43250 1/20 0.31
HPGD P15428 1/20 0.31
PDE4D Q08499 1/20 0.31
ALDH1A1 P00352 4/20 0.31

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
SCHEMBL9735503 0.82 ALOX5 (0.35) MEN1KMT2ACASP3LMNAKDM4E
SCHEMBL9736959 0.80 KDM4E (0.33) MEN1KMT2ACAPN9CASP3CYP3A4
SCHEMBL9735589 0.80 CCNE1 (0.35) MEN1KMT2ACAPN9CASP3CYP3A4
SCHEMBL9737016 0.78 MALT1 (0.35) MEN1KMT2ACAPN9CASP3CYP3A4
SCHEMBL9736241 0.74 ALDH1A1 (0.35) MEN1KMT2ACAPN9CASP3CYP3A4
SCHEMBL9732771 0.73 MEN1 (0.34) MEN1KMT2ACAPN9CASP3CYP3A4
SCHEMBL9735535 0.71 KMT2A (0.36) MEN1KMT2ALMNAARALDH1A1
SCHEMBL9736949 0.70 MAPT (0.32) MEN1KMT2ALMNANR3C1PGR
SCHEMBL8316461 0.69 L3MBTL1 (0.41) MEN1KMT2ANR3C1PGRNR3C2
SCHEMBL8314877 0.69 MEN1 (0.36) MEN1KMT2ACYP3A4TDP1LMNA

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-5130322-A CHROMAN DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-07-14 US disclosed