SCHEMBL10690832

SCHEMBL10690832

CC(=O)c1ccc(Oc2cc(C)c([N+](=O)[O-])c(C(=O)O)c2)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRA P11474 1/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
TTR P02766 1/20 0.46
PPOX P50336 1/20 0.46
ALDH1A1 P00352 6/20 0.43
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 1/20 0.43
AKR1C3 P42330 4/20 0.42
AKR1C2 P52895 4/20 0.42
GAA P10253 3/20 0.42
PKM P14618 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
HPSE Q9Y251 1/20 0.40
MAPT P10636 3/20 0.40
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL3304697 0.87 TDP1 (0.56) KMT2AMEN1TDP1TTRPPOX
SCHEMBL10685127 0.83 MEN1 (0.47) KMT2AMEN1TDP1TTRPPOX
SCHEMBL10686059 0.82 MEN1 (0.59) KMT2AMEN1TDP1TTRPPOX
Bifenox SCHEMBL11497295 0.77 TDP1 (0.78) KMT2AMEN1TDP1TTRPPOX
SCHEMBL11334611 0.76 EPAS1 (0.47) KMT2AMEN1TDP1TTRPPOX
SCHEMBL27768781 0.76 MEN1 (0.55) KMT2AMEN1TDP1TTRPPOX
Ioxynil SCHEMBL10755216 0.76 TDP1 (0.44) KMT2AMEN1TDP1TTRPPOX
SCHEMBL9852601 0.74 TDP1 (0.54) KMT2AMEN1TDP1TTRPPOX
SCHEMBL10690824 0.73 TDP1 (0.78) ESRRAKMT2AMEN1TDP1TTR
SCHEMBL11354108 0.73 MEN1 (0.56) KMT2AMEN1TDP1TTRPPOX

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-4743703-A Herbicidal 4-fluoroalkyl-4'-nitrodiphenyl ethers ROHM AND HAAS COMPANY (US) 1988-05-10 US disclosed