SCHEMBL4458079

SCHEMBL4458079

CCOP(OCC)c1ccccc1CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GABRA1 P14867 3/20 0.37
GABRB2 P47870 3/20 0.37
CYP4F2 P78329 2/20 0.36
CYP4A11 Q02928 2/20 0.36
MGLL Q99685 1/20 0.34
CYP2D6 P10635 1/20 0.34
NLRP3 Q96P20 2/20 0.33
TSHR P16473 1/20 0.32
MAOA P21397 1/20 0.32
HPGD P15428 1/20 0.32
ATM Q13315 1/20 0.32
TP53 P04637 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31

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
SCHEMBL2947384 0.84 ALDH1A1 (0.33) NPSR1TSHRTP53
SCHEMBL4452162 0.84 L3MBTL1 (0.38) MAPTL3MBTL1NPSR1GABRA1GABRB2
SCHEMBL4455343 0.84 CYP4F2 (0.34) MAPTL3MBTL1NPSR1CYP4F2CYP4A11
SCHEMBL4455991 0.81 LIPG (0.40) CYP4F2CYP4A11CYP2D6
SCHEMBL4461175 0.81 L3MBTL1 (0.40) MAPTL3MBTL1NPSR1TSHRHPGD
SCHEMBL4460493 0.81 GABRA1 (0.38) MAPTL3MBTL1NPSR1GABRA1GABRB2
SCHEMBL4448593 0.77 MAPT (0.36) MAPTL3MBTL1NPSR1GABRA1GABRB2
SCHEMBL4458090 0.77 TSHR (0.38) MAPTTSHR
SCHEMBL1726433 0.76 GABRA1 (0.34) MAPTL3MBTL1NPSR1GABRA1GABRB2
SCHEMBL10742274 0.75 ALDH1A1 (0.45) MAPTL3MBTL1NPSR1TSHRHPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612148-B2 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2009-11-03 US disclosed
US-20080146733-A1 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2008-06-19 US disclosed
US-4743687-A HYPOTENSIVE AGENTS HOFFMANN-LA ROCHE INC. (US) 1988-05-10 US disclosed