SCHEMBL9589201

SCHEMBL9589201

Oc1ccc(Oc2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.64
▸ KMT2A Q03164 2/20 0.64
▸ ESR1 P03372 1/20 0.64
▸ ESR2 Q92731 1/20 0.64
▸ LTA4H P09960 5/20 0.54
▸ NR1H2 P55055 1/20 0.54
▸ BAX Q07812 1/20 0.54
▸ EPHX2 P34913 2/20 0.47
▸ FAAH O00519 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ PARP10 Q53GL7 1/20 0.45
▸ AURKA O14965 1/20 0.45
▸ TPX2 Q9ULW0 1/20 0.45
▸ MMP2 P08253 1/20 0.42
▸ MMP3 P08254 1/20 0.42
▸ MMP9 P14780 1/20 0.42
▸ MMP13 P45452 1/20 0.42

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
SCHEMBL4307301 1.00 MEN1 (0.64) MEN1KMT2AESR1ESR2LTA4H
SCHEMBL221511 0.93 MAPT (0.52) MEN1KMT2AESR1ESR2EPHX2
SCHEMBL9590608 0.89 LTA4H (0.53) MEN1KMT2AESR1ESR2LTA4H
SCHEMBL28780452 0.88 EPHX2 (0.50) MEN1KMT2ALTA4HEPHX2FAAH
SCHEMBL508237 0.86 AURKA (0.57) MEN1KMT2AESR1ESR2EPHX2
SCHEMBL9589995 0.85 LTA4H (0.53) MEN1KMT2AESR1ESR2LTA4H
SCHEMBL9589488 0.85 LTA4H (0.53) MEN1KMT2AESR1ESR2LTA4H
SCHEMBL9588167 0.85 LTA4H (0.53) MEN1KMT2AESR1ESR2LTA4H
SCHEMBL13279015 0.84 KCNA5 (0.50) MEN1KMT2AESR1ESR2LTA4H
SCHEMBL20805846 0.83 EPHX2 (0.78) MEN1KMT2AEPHX2FAAHMAPT

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
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