SCHEMBL6956218

SCHEMBL6956218

CC(C)(C)OC(=O)NCCCc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.54
FFAR1 O14842 1/20 0.47
AKR1B1 P15121 1/20 0.47
SIGMAR1 Q99720 2/20 0.45
CTSS P25774 3/20 0.44
CTSK P43235 2/20 0.44
S1PR1 P21453 1/20 0.44
S1PR3 Q99500 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
NAMPT P43490 1/20 0.43
GPR119 Q8TDV5 1/20 0.43
MALT1 Q9UDY8 1/20 0.42
POLB P06746 1/20 0.42
NR1H2 P55055 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
AKT1 P31749 1/20 0.42
MYC P01106 1/20 0.42
WDR5 P61964 1/20 0.42
BCHE P06276 1/20 0.41

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
SCHEMBL6957139 0.97 PTPN1 (0.53) PTPN1FFAR1AKR1B1SIGMAR1CTSS
SCHEMBL6956199 0.96 PTPN1 (0.52) PTPN1FFAR1AKR1B1SIGMAR1CTSS
SCHEMBL6957195 0.93 PTPN1 (0.56) PTPN1FFAR1AKR1B1CTSSCTSK
SCHEMBL6959964 0.86 PTPN1 (0.57) PTPN1FFAR1AKR1B1CTSSCTSK
SCHEMBL6951994 0.82 FFAR1 (0.55) PTPN1FFAR1AKR1B1CTSSCTSK
SCHEMBL21997301 0.81 MGLL (0.51) SIGMAR1CTSSCTSKCA1CA2
SCHEMBL21482930 0.79 CTSS (0.47) SIGMAR1CTSSCTSKCA1CA2
SCHEMBL7896990 0.79 CA1 (0.45) SIGMAR1CA1CA2NAMPTMALT1
SCHEMBL6959200 0.79 FFAR1 (0.54) PTPN1FFAR1AKR1B1
SCHEMBL4583683 0.79 POLB (0.65) SIGMAR1CTSKPOLBTDP1

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