SCHEMBL9853718

SCHEMBL9853718

Cc1cc(Oc2ccccc2-c2ccccc2)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NCOA1 Q15788 1/20 0.53
NCOA3 Q9Y6Q9 1/20 0.53
SCN9A Q15858 2/20 0.46
AR P10275 1/20 0.46
BRD4 O60885 1/20 0.46
PTGS2 P35354 1/20 0.43
FFAR4 Q5NUL3 1/20 0.42
BACE1 P56817 2/20 0.41
ESR2 Q92731 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
BCL2L1 Q07817 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ESR1 P03372 3/20 0.40
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39

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
SCHEMBL8378010 0.82 AR (0.50) ARPTGS2ESR2ALDH1A1HPGD
SCHEMBL17716501 0.82 AR (0.47) ARESR2L3MBTL1ALDH1A1ESR1
SCHEMBL9859902 0.81 NCOA1 (0.53) NCOA1NCOA3SCN9AARBRD4
SCHEMBL9298242 0.81 NCOA1 (0.61) NCOA1NCOA3SCN9AARBRD4
SCHEMBL28336726 0.81 NCOA1 (0.61) NCOA1NCOA3ARBRD4PTGS2
SCHEMBL28336683 0.78 NCOA1 (0.61) NCOA1NCOA3ARBRD4PTGS2
SCHEMBL4101422 0.78 LTA4H (0.54) ESR2L3MBTL1ESR1
SCHEMBL11821093 0.78 NCOA1 (0.56) NCOA1NCOA3SCN9AARBRD4
SCHEMBL1096473 0.76 NCOA1 (0.68) NCOA1NCOA3ARBRD4PTGS2
SCHEMBL7035775 0.76 NCOA1 (0.53) NCOA1NCOA3SCN9AARBRD4

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
EP-0446722-A1 Novel hydroxylated phenoxy compounds and process for their preparation Bromine Compounds Ltd. (IL) 1991-09-18 EP disclosed