SCHEMBL9770362

SCHEMBL9770362

c1ccc(OCC2Cc3ccccc3OO2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.53
GRM2 Q14416 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
DRD1 P21728 1/20 0.38
PDK1 Q15118 2/20 0.37
PTGDR Q13258 1/20 0.37
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
DRD4 P21917 1/20 0.36

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
SCHEMBL6174120 0.81 HRH3 (0.35) HRH3
SCHEMBL4214550 0.81 HRH3 (0.35) HRH3
SCHEMBL10816316 0.81 ALDH1A1 (0.56) TDP1ALDH1A1NPC1RAB9A
SCHEMBL9312405 0.75 PPARG (0.52) TDP1ALDH1A1TP53CYP3A4TSHR
SCHEMBL502587 0.75 MAOA (0.40) HRH3
SCHEMBL3767763 0.75 HRH3 (0.37) TSHRHRH3
SCHEMBL27574307 0.75 HRH3 (0.37) TP53HRH3
SCHEMBL4675701 0.75 HRH3 (0.40) TSHRHRH3
SCHEMBL2452704 0.75 HRH3 (0.37) TP53TSHRHRH3
SCHEMBL8405409 0.75 HRH3 (0.37) HRH3

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-5013636-A Magenta coupler and water soluble dye, films and paper FUJI PHOTO FILM CO., LTD. (JP) 1991-05-07 US disclosed