SCHEMBL28292691

SCHEMBL28292691

Cc1cc(CCCCCCc2cc(C)c(O)c([N+](=O)[O-])c2)cc([N+](=O)[O-])c1O

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 5/20 0.57
ALDH1A1 P00352 2/20 0.57
ESR1 P03372 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
TTR P02766 1/20 0.40
CYP1A2 P05177 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
MAPK1 P28482 1/20 0.40
RECQL P46063 1/20 0.40
PMP22 Q01453 1/20 0.40
KMT2A Q03164 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL7030198 0.84 GPR35 (0.62) GPR35ALDH1A1KDM4EMEN1TTR
SCHEMBL11204852 0.83 ESR1 (0.57) GPR35ESR1
SCHEMBL1861075 0.83 ESR1 (0.57) GPR35ESR1
SCHEMBL8733612 0.83 ESR1 (0.57) GPR35ESR1
SCHEMBL11206702 0.83 ESR1 (0.57) GPR35ESR1
SCHEMBL4970067 0.83 GPR35 (0.61) GPR35ALDH1A1ESR1KDM4EMEN1
SCHEMBL4451437 0.80 FUT7 (0.49) GPR35ALDH1A1ESR1ALOX15ALOX12
SCHEMBL8736399 0.79 GPR35 (0.53) GPR35ALDH1A1ESR1HPGDMAPK1
SCHEMBL10749719 0.78 GPR35 (0.80) GPR35ALDH1A1KDM4EMEN1TTR
SCHEMBL28232927 0.78 PTGS2 (0.55) ALDH1A1ESR1KDM4EHPGDALOX15

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
CN-105899497-B Novel bis (hydroxyphenyl) benzoxazole compounds 本州化学工业株式会社 2019-04-09 CN disclosed