SCHEMBL9588403

SCHEMBL9588403

O=C(O)c1ccccc1Oc1ccccc1OC(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.62
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
RXRG P48443 1/20 0.50
KDM4E B2RXH2 8/20 0.47
HSD17B10 Q99714 6/20 0.47
ALDH1A1 P00352 6/20 0.47
HPGD P15428 5/20 0.47
ESR1 P03372 1/20 0.47
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
HMGB1 P09429 1/20 0.47
TSHR P16473 1/20 0.47
GGT1 P19440 1/20 0.47
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
BLM P54132 1/20 0.47
NAPRT Q6XQN6 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
USP2 O75604 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
SCHEMBL29374906 0.89 KDM4E (0.53) HTTRXRARXRBRXRGKDM4E
SCHEMBL219675 0.89 KDM4E (0.53) HTTRXRARXRBRXRGKDM4E
SCHEMBL8434168 0.85 HTT (0.81) HTTKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL29839667 0.85 HTT (0.81) HTTKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL9138435 0.83 CTNNB1 (0.51) HTTKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL29682980 0.83 HTT (0.77) HTTKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL446113 0.83 HTT (0.77) HTTKDM4EHSD17B10ALDH1A1HPGD
Hydrochloric Acid SCHEMBL9633469 0.81 HTT (0.74) HTTKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL9138058 0.80 KDM4E (0.51) HTTKDM4EALDH1A1SCN8ASCN10A
SCHEMBL9139074 0.79 HTT (0.57) HTTRXRARXRBRXRGKDM4E

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-5219477-A Containing organometallic salts and inorganic metal borates; fromo reactinmetal hydroxide with phenols or aromatic carboxylic acid THE DOW CHEMICAL COMPANY (US) 1993-06-15 US claimed
US-5219477-A Containing organometallic salts and inorganic metal borates; fromo reactinmetal hydroxide with phenols or aromatic carboxylic acid THE DOW CHEMICAL COMPANY (US) 1993-06-15 US disclosed