SCHEMBL8373355

SCHEMBL8373355

Cc1cc(C(c2cc(C)c(O)c([N+](=O)[O-])c2)(C(F)(F)F)C(F)(F)F)cc([N+](=O)[O-])c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 5/20 0.57
ALDH1A1 P00352 5/20 0.57
HPGD P15428 2/20 0.42
ALOX15 P16050 2/20 0.42
HIF1A Q16665 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
TXNRD1 Q16881 1/20 0.42
TXNRD3 Q86VQ6 1/20 0.42
TXNRD2 Q9NNW7 1/20 0.42
TTR P02766 2/20 0.40
XDH P47989 1/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX12 P18054 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL8375683 0.85 TTR (0.53) GPR35ALDH1A1HPGDALOX15HIF1A
SCHEMBL7766735 0.82 GPR35 (0.49) GPR35ALDH1A1HPGDALOX15HIF1A
SCHEMBL1600086 0.81 GPR35 (0.65) GPR35ALDH1A1HPGDALOX15HIF1A
SCHEMBL247818 0.78 ESR1 (0.48) ALDH1A1CYP3A4TTRKDM4EMEN1
SCHEMBL24191114 0.75 GPR35 (0.56) GPR35ALDH1A1HPGDALOX15HIF1A
SCHEMBL30429503 0.75 GPR35 (0.56) GPR35ALDH1A1HPGDALOX15HIF1A
SCHEMBL17744391 0.75 GPR35 (0.65) GPR35ALDH1A1HPGDALOX15HIF1A
SCHEMBL29837196 0.75 ALDH1A1 (0.53) GPR35ALDH1A1HPGDALOX15HIF1A
SCHEMBL31447707 0.75 ALDH1A1 (0.53) GPR35ALDH1A1HPGDALOX15HIF1A
SCHEMBL4649869 0.75 ALDH1A1 (0.53) GPR35ALDH1A1HPGDALOX15HIF1A

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