SCHEMBL6956199

SCHEMBL6956199

CC(C)(C)OC(=O)NCCCCCCCCc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.52
TDP1 Q9NUW8 1/20 0.46
FFAR1 O14842 1/20 0.46
AKR1B1 P15121 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
SIGMAR1 Q99720 2/20 0.44
CTSS P25774 2/20 0.43
CTSK P43235 2/20 0.43
S1PR1 P21453 1/20 0.43
S1PR3 Q99500 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
NAMPT P43490 1/20 0.41
CYP3A4 P08684 1/20 0.41
TPSAB1 Q15661 1/20 0.41
TPSD1 Q9BZJ3 1/20 0.41
TPSG1 Q9NRR2 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 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 0.99 PTPN1 (0.53) PTPN1TDP1FFAR1AKR1B1NPSR1
SCHEMBL6956218 0.96 PTPN1 (0.54) PTPN1TDP1FFAR1AKR1B1SIGMAR1
SCHEMBL6957195 0.91 PTPN1 (0.56) PTPN1FFAR1AKR1B1CTSSCTSK
SCHEMBL6959964 0.84 PTPN1 (0.57) PTPN1FFAR1AKR1B1CTSSCTSK
SCHEMBL6955031 0.83 FFAR1 (0.53) PTPN1FFAR1AKR1B1TPSAB1TPSD1
SCHEMBL21482930 0.82 CTSS (0.47) TDP1NPSR1SIGMAR1CTSSCTSK
SCHEMBL6959200 0.82 FFAR1 (0.54) PTPN1FFAR1AKR1B1
SCHEMBL2329987 0.81 MGLL (0.51) TDP1NPSR1SIGMAR1CA1CA2
SCHEMBL22102023 0.80 NPSR1 (0.61) TDP1NPSR1SIGMAR1CYP3A4POLB
SCHEMBL5468072 0.80 NPSR1 (0.61) TDP1NPSR1SIGMAR1CYP3A4POLB

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