SCHEMBL9588248

SCHEMBL9588248

Oc1ccccc1Oc1ccccc1Oc1cccc(OC(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.48
P2RX1 P51575 1/20 0.41
CETP P11597 1/20 0.40
EPHX2 P34913 1/20 0.39
BRAF P15056 2/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
F10 P00742 1/20 0.38
MAPK14 Q16539 1/20 0.38

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
SCHEMBL9588339 0.97 AR (0.50) ARP2RX1CETPEPHX2BRAF
SCHEMBL9588245 0.95 AR (0.49) ARP2RX1CETPEPHX2BRAF
SCHEMBL9588170 0.92 AR (0.50) ARP2RX1CETPSLC6A2SLC6A4
SCHEMBL9588436 0.89 AR (0.50) ARCETPEPHX2SLC6A2SLC6A4
SCHEMBL9589145 0.85 SLC6A2 (0.51) AREPHX2SLC6A2SLC6A4SLC6A3
SCHEMBL8969033 0.83 AR (0.49) ARMEN1MAPTKMT2A
SCHEMBL9589491 0.82 SLC6A2 (0.54) AREPHX2SLC6A2SLC6A4SLC6A3
SCHEMBL9588707 0.81 CA1 (0.43) AREPHX2MEN1MAPTHTT
SCHEMBL9590802 0.81 AR (0.51) ARMAPT
SCHEMBL9589204 0.80 SLC6A2 (0.53) AREPHX2SLC6A2SLC6A4SLC6A3

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