SCHEMBL11230429

SCHEMBL11230429

CCOPc1ccccc1CC

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GABRA1 P14867 4/20 0.37
GABRB2 P47870 4/20 0.37
MGLL Q99685 1/20 0.34
CTSB P07858 1/20 0.33
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
TSHR P16473 1/20 0.32
HPGD P15428 1/20 0.32
ATM Q13315 1/20 0.32
TP53 P04637 2/20 0.31
CYP2D6 P10635 1/20 0.31
NLRP3 Q96P20 1/20 0.30

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
SCHEMBL4458013 0.82 GABRA1 (0.38) MAPTL3MBTL1NPSR1GABRA1GABRB2
SCHEMBL11272701 0.81 GABRA1 (0.38) MAPTL3MBTL1NPSR1GABRA1GABRB2
SCHEMBL1423121 0.75 GABRA1 (0.44) MAPTL3MBTL1NPSR1GABRA1GABRB2
Hydrochloric Acid SCHEMBL28248435 0.73 GABRA1 (0.42) MAPTL3MBTL1NPSR1GABRA1GABRB2
Hydrochloric Acid SCHEMBL2154393 0.73 GABRA1 (0.42) MAPTL3MBTL1NPSR1GABRA1GABRB2
SCHEMBL5813177 0.73 GABRA1 (0.42) MAPTL3MBTL1NPSR1GABRA1GABRB2
SCHEMBL11250606 0.73 GABRA1 (0.42) MAPTL3MBTL1NPSR1GABRA1GABRB2
SCHEMBL8638902 0.72 GABRA1 (0.38) GABRA1GABRB2TSHRHPGDNLRP3
SCHEMBL4460825 0.72 ELANE (0.32) HPGD
SCHEMBL6442097 0.71 GABRA1 (0.46) MAPTL3MBTL1NPSR1GABRA1GABRB2

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-4342680-A WITH AN AMINE SUBSTITUTED TRIAZINE, A PHENOL, AND AN ALKALI METAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1982-08-03 US disclosed
US-4125540-A WITH ORGANO-PHOSPHORUS COMPOUNDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1978-11-14 US disclosed
US-4087411-A TRIOXANE, BORON FLUORIDE-TYPE CATALYST MITSUBISHI GAS CHEMICAL COMPANY, INC. (JA) 1978-05-02 US disclosed