SCHEMBL9762879

SCHEMBL9762879

O=C(c1ccccc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.61
SRD5A2 P31213 1/20 0.58
FFAR1 O14842 2/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
POLB P06746 2/20 0.51
MAPK1 P28482 3/20 0.50
MAPT P10636 1/20 0.50
PYGL P06737 2/20 0.48
PYGM P11217 2/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
HPSE Q9Y251 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
RAB9A P51151 1/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL28087984 0.88 SRD5A2 (0.58) KDM4ESRD5A2FFAR1MEN1KMT2A
SCHEMBL9768792 0.83 KDM4E (0.56) KDM4ESRD5A2FFAR1MEN1KMT2A
SCHEMBL9222768 0.81 POLB (0.56) KDM4ESRD5A2MEN1KMT2APOLB
SCHEMBL6032158 0.80 SRD5A2 (0.82) KDM4ESRD5A2FFAR1MEN1KMT2A
SCHEMBL9718282 0.77 POLB (0.63) SRD5A2POLBMAPK1MAPTHPSE
SCHEMBL14877375 0.77 CES1 (0.80) KDM4ESRD5A2FFAR1MEN1KMT2A
SCHEMBL27615205 0.77 HTT (0.56) KDM4EMEN1KMT2APOLBMAPK1
SCHEMBL28147378 0.77 CES2 (0.52) SRD5A2MEN1KMT2APOLBMAPK1
SCHEMBL10943864 0.76 SRD5A2 (0.87) KDM4ESRD5A2MEN1KMT2APOLB
SCHEMBL11196888 0.76 SRD5A2 (0.55) KDM4ESRD5A2FFAR1MEN1KMT2A

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-5073552-A Substituted benzophenone dicarboxylic acids ETHYL CORPORATION (US) 1991-12-17 US disclosed