SCHEMBL6956381

SCHEMBL6956381

OCCCCCCCCc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.36
HSD11B1 P28845 3/20 0.34
CES1 P23141 1/20 0.33
NCEH1 Q6PIU2 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
P2RY12 Q9H244 1/20 0.33
GP6 Q9HCN6 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
LTB4R Q15722 1/20 0.33
MGLL Q99685 1/20 0.33
LTA4H P09960 1/20 0.33
EPHX2 P34913 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
EGFR P00533 1/20 0.32
AGTR1 P30556 1/20 0.32
AGTR2 P50052 1/20 0.32

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
SCHEMBL6960893 0.99 CA2 (0.35) CA2HSD11B1GP6HDAC2LTB4R
SCHEMBL6949584 0.94 LTA4H (0.37) CA2HSD11B1GP6LTA4HEPHX2
SCHEMBL6956494 0.89 TDP1 (0.40) CA2GP6
SCHEMBL6957300 0.88 HSD11B1 (0.47) HSD11B1AGTR1AGTR2
SCHEMBL6956844 0.88 GP6 (0.35) HSD11B1GP6MGLLAGTR1AGTR2
SCHEMBL6949197 0.88 HSD11B1 (0.47) HSD11B1AGTR1AGTR2
SCHEMBL6962988 0.88 MAOA (0.42) HSD11B1
SCHEMBL6957151 0.86 MAOA (0.44) HSD11B1GP6
SCHEMBL6957576 0.86 GP6 (0.36) HSD11B1GP6AGTR1AGTR2
SCHEMBL8524519 0.86 HSD11B1 (0.43) HSD11B1EGFRAGTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711762-B1 PROCESS FOR PRODUCING TETRAZOLE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2003-08-06 EP disclosed
US-6277998-B1 REACTING 2-CYANO-4-OXO-4H-BENZOPYRAN COMPOUND WITH HYDROGEN SULFIDE AND THEN REACTING PROUDCT WITH ALKYL HALIDE; REACTING THE PRODUCT WITH HYDRAZINE OR ITS SALT AND THEN WITH NITROUS ACID COMPOUND TO OBTAIN TETRAZOLE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-08-21 US disclosed
US-6191289-B1 REACTING A 4-OXO-4H-BENZOPYRAN GROUP SUBSTITUTED WITH AMIDE OR A PHENYL GROUP IN ITS 2 POSITION IS REACTED WITH ANHYDROUS HYDRAZINE OR SALT IN PRESENCE OF CATALYST FOLLOWED BY REACTING WITH NITROUS ACID OR SALT TO FORM TETRAZOLE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-02-20 US disclosed
US-5874593-A SULFUR CONTAINING AMIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-23 US disclosed
EP-0711762-A1 PROCESS FOR PRODUCING TETRAZOLE COMPOUND AND INTERMEDIATE THEREFOR SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-05-15 EP disclosed