SCHEMBL10933263

SCHEMBL10933263

CCCCCc1cc2ccccc2c(O)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.49
MAPT P10636 3/20 0.47
CYP3A4 P08684 2/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
GAA P10253 2/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
USP2 O75604 1/20 0.45
GLA P06280 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
LIPG Q9Y5X9 1/20 0.45
ALOX5 P09917 6/20 0.44
PTGS2 P35354 4/20 0.44
TYR P14679 2/20 0.44
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL9643304 0.98 MAPT (0.49) TLR8MAPTCYP3A4KDM4EALDH1A1
SCHEMBL6545119 0.95 TLR8 (0.47) TLR8MAPTCYP3A4KDM4EALDH1A1
Formic Acid SCHEMBL27795499 0.91 MAPT (0.47) TLR8MAPTCYP3A4KDM4EALDH1A1
SCHEMBL17329242 0.88 GPR84 (0.51) KDM4EALDH1A1GAAHPGD
SCHEMBL11126792 0.87 KDM4E (0.47) TLR8MAPTCYP3A4KDM4EALDH1A1
SCHEMBL8760245 0.87 TYR (0.47) TLR8MAPTCYP3A4KDM4EALDH1A1
SCHEMBL15486078 0.87 MAPT (0.48) TLR8MAPTCYP3A4KDM4EALDH1A1
SCHEMBL11221690 0.87 KDM4E (0.50) TLR8MAPTCYP3A4KDM4EALDH1A1
SCHEMBL11138231 0.86 KDM4E (0.51) TLR8MAPTCYP3A4KDM4EALDH1A1
SCHEMBL9456470 0.86 KDM4E (0.51) TLR8MAPTCYP3A4KDM4EALDH1A1

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-4594442-A Halogen containing alkoxy substitution HOFFMAN-LA ROCHE INC. (US) 1986-06-10 US disclosed
US-4539419-A TREATMENT OF ALLERGIES HOFFMANN-LA ROCHE INC. (US) 1985-09-03 US disclosed