SCHEMBL8375683

SCHEMBL8375683

O=[N+]([O-])c1cc(C(c2cc(O)c(O)c([N+](=O)[O-])c2)(C(F)(F)F)C(F)(F)F)cc(O)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 6/20 0.53
GPR35 Q9HC97 3/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
ALOX15 P16050 2/20 0.53
HIF1A Q16665 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
CYP1A2 P05177 1/20 0.53
MAPT P10636 1/20 0.53
CYP2C9 P11712 1/20 0.53
ALOX12 P18054 1/20 0.53
MAPK1 P28482 1/20 0.53
RECQL P46063 1/20 0.53
PMP22 Q01453 1/20 0.53
KMT2A Q03164 1/20 0.53
HSD17B10 Q99714 1/20 0.53
XDH P47989 1/20 0.53
CA12 O43570 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
SCHEMBL8373355 0.85 GPR35 (0.57) TTRGPR35ALDH1A1HPGDALOX15
SCHEMBL7766735 0.83 GPR35 (0.49) TTRGPR35ALDH1A1HPGDALOX15
SCHEMBL31447707 0.79 ALDH1A1 (0.53) TTRGPR35ALDH1A1HPGDALOX15
SCHEMBL29837196 0.79 ALDH1A1 (0.53) TTRGPR35ALDH1A1HPGDALOX15
SCHEMBL4649869 0.79 ALDH1A1 (0.53) TTRGPR35ALDH1A1HPGDALOX15
SCHEMBL9316398 0.76 GPR35 (0.66) TTRGPR35ALDH1A1HPGDALOX15
SCHEMBL10671642 0.74 ALDH1A1 (0.58) TTRGPR35ALDH1A1HPGDALOX15
SCHEMBL29836953 0.74 ALDH1A1 (0.55) TTRALDH1A1HPGDALOX15HIF1A
SCHEMBL3858194 0.72 TTR (0.67) TTRGPR35ALDH1A1HPGDALOX15
SCHEMBL18306136 0.71 TTR (0.67) TTRGPR35ALDH1A1HPGDALOX15

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5977413-A Method for producing bis(3-amino-4-hydroxyphenyl) compounds NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1999-11-02 US disclosed
EP-0895985-A2 Method for producing bis(3-amino-4-hydroxyphenyl) compounds Nippon Kayaku Kabushiki Kaisha (JP) 1999-02-10 EP disclosed