SCHEMBL29862575

SCHEMBL29862575

COc1cc(C=O)ccc1Oc1cccc(C)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.73
ALDH1A1 P00352 6/20 0.60
TSHR P16473 1/20 0.60
AR P10275 2/20 0.58
FDPS P14324 1/20 0.53
MAPT P10636 2/20 0.49
NQO2 P16083 1/20 0.48
HPGD P15428 2/20 0.47
AOX1 Q06278 1/20 0.47
TRIM24 O15164 1/20 0.47
ALDH5A1 P51649 1/20 0.47
ABAT P80404 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TRIM33 Q9UPN9 1/20 0.47
ACHE P22303 1/20 0.47
LMNA P02545 1/20 0.47
ATM Q13315 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46

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
SCHEMBL9889483 1.00 TTR (0.73) TTRALDH1A1TSHRARFDPS
SCHEMBL15096337 0.85 TTR (0.51) TTRALDH1A1TSHRARMAPT
SCHEMBL31238528 0.84 TTR (1.00) TTRALDH1A1TSHRFDPSMAPT
SCHEMBL1616189 0.84 TTR (1.00) TTRALDH1A1TSHRFDPSMAPT
SCHEMBL6374572 0.83 FDPS (0.71) TTRALDH1A1TSHRFDPSMAPT
SCHEMBL21328349 0.83 TTR (0.69) TTRALDH1A1TSHRFDPSMAPT
SCHEMBL27670275 0.83 TTR (0.74) TTRALDH1A1TSHRARFDPS
SCHEMBL14667749 0.82 TTR (0.49) TTRALDH1A1TSHRARMAPT
SCHEMBL6500894 0.82 TTR (0.56) TTRALDH1A1TSHRARFDPS
SCHEMBL9889480 0.82 AR (0.56) TTRALDH1A1TSHRARSMN1; SMN2

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
CN-114630827-B Estrogen-related receptor alpha (erra) modulators 领先制药控股公司 2024-09-03 CN disclosed
EP-4045503-A1 ESTROGEN-RELATED RECEPTOR ALPHA (ERRa) MODULATORS Lead Pharma Holding B.V. (NL) 2022-08-24 EP disclosed