SCHEMBL9588170

SCHEMBL9588170

Oc1ccccc1Oc1ccc(Oc2cccc(OC(F)(F)F)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.50
MAPK14 Q16539 1/20 0.45
CETP P11597 5/20 0.44
PTGES2 Q9H7Z7 1/20 0.44
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
MITF O75030 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
GFER P55789 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NLRP1 Q9C000 1/20 0.43
NOD2 Q9HC29 1/20 0.43
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
P2RX1 P51575 1/20 0.40

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
SCHEMBL9588436 0.97 AR (0.50) ARMAPK14CETPPTGES2SLC6A2
SCHEMBL9588245 0.97 AR (0.49) ARMAPK14CETPPTGES2SLC6A2
SCHEMBL9588339 0.95 AR (0.50) ARMAPK14CETPSLC6A2SLC6A4
SCHEMBL9588248 0.92 AR (0.48) ARMAPK14CETPSLC6A2SLC6A4
SCHEMBL9589204 0.89 SLC6A2 (0.53) ARSLC6A2SLC6A4SLC6A3MEN1
SCHEMBL9589491 0.87 SLC6A2 (0.54) ARSLC6A2SLC6A4SLC6A3MEN1
SCHEMBL9589671 0.85 AR (0.53) ARMAPK14MEN1MAPTKMT2A
SCHEMBL9589145 0.84 SLC6A2 (0.51) ARSLC6A2SLC6A4SLC6A3MEN1
SCHEMBL9588301 0.84 TTR (0.53) ARMEN1MAPTKMT2AMITF
SCHEMBL9588167 0.82 LTA4H (0.53) MAPK14CETPMEN1MAPTKMT2A

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