SCHEMBL6957724

SCHEMBL6957724

CCCCCCCCCCCCCCC([O])c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.46
HTR2A P28223 1/20 0.45
ASAH1 Q13510 2/20 0.44
CSNK1E P49674 1/20 0.44
ALDH1A1 P00352 2/20 0.43
ACER2 Q5QJU3 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
POLB P06746 1/20 0.42
CNR2 P34972 1/20 0.42
LCK P06239 1/20 0.42
PPARD Q03181 1/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
OPRL1 P41146 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL1660346 1.00 NAAA (0.46) NAAAHTR2AASAH1CSNK1EALDH1A1
SCHEMBL999364 1.00 NAAA (0.46) NAAAHTR2AASAH1CSNK1EALDH1A1
SCHEMBL11372249 1.00 NAAA (0.46) NAAAHTR2AASAH1CSNK1EALDH1A1
SCHEMBL6716460 1.00 NAAA (0.46) NAAAHTR2AASAH1CSNK1EALDH1A1
SCHEMBL1020302 1.00 NAAA (0.46) NAAAHTR2AASAH1CSNK1EALDH1A1
SCHEMBL1661440 1.00 NAAA (0.46) NAAAHTR2AASAH1CSNK1EALDH1A1
SCHEMBL999809 1.00 NAAA (0.46) NAAAHTR2AASAH1CSNK1EALDH1A1
SCHEMBL997492 0.98 SIGMAR1 (0.44) NAAAHTR2AASAH1CSNK1EALDH1A1
SCHEMBL17534839 0.92 POLB (0.49) NAAAHTR2AALDH1A1SIGMAR1POLB
SCHEMBL921888 0.92 POLB (0.49) NAAAHTR2AALDH1A1SIGMAR1POLB

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