SCHEMBL7765615

SCHEMBL7765615

NC(=O)N(CC(=O)O)c1cccs1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.39
ALOX5 P09917 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
DAO P14920 1/20 0.38
CHRM2 P08172 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
CYP2C19 P33261 1/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
BCAT2 O15382 1/20 0.35

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
SCHEMBL6557201 0.84 CHRM2 (0.39) POLBTDP1DAOCHRM2CHRM1
Hydrochloric Acid SCHEMBL9779525 0.83 POLB (0.39) POLBTDP1DAOCHRM2CHRM1
SCHEMBL11454286 0.81 GSK3B (0.42) POLBTDP1DAOCHRM2CHRM1
SCHEMBL9327532 0.79 TDP1 (0.38) POLBALOX5TDP1DAOCYP2C19
Hydrochloric Acid SCHEMBL9326182 0.78 TDP1 (0.37) POLBALOX5TDP1DAOCYP2C19
SCHEMBL9779378 0.78 GSTO1 (0.35) POLBTDP1DAOCHRM2CHRM1
SCHEMBL7158576 0.77 CHRM2 (0.40) POLBTDP1CHRM2CHRM1CHRM3
SCHEMBL1618720 0.77 CHRM2 (0.40) POLBTDP1CHRM2CHRM1CHRM3
SCHEMBL8388974 0.76 POLB (0.37) POLBALOX5DAOCHRM2CHRM1
SCHEMBL28938837 0.76 CHRM2 (0.45) POLBTDP1DAOCHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-55007001-A None JP disclosed
EP-0628637-B1 PROCESS FOR PRODUCING D-ALPHA-AMINO ACIDS KANEGAFUCHI CHEMICAL IND (JP) 2001-06-13 EP disclosed
US-5902736-A USING DECARBAMYLASE FROM COMAMONAS, ALCALIGENES, RHIZOBIUM, BLASTOBACTER, SPOROSARCINA, AND BRADYRHYZOBIUM SPECIES IN AQUEOUS MEDIUM; AS CHEMICAL INTERMEDIATES FOR SEMISYNTHETIC PENICILLIN AND CEPHALOSPORIN KANEGAFUCHI CHEMICAL INDUSTRY CO., LTD. (JP) 1999-05-11 US disclosed
US-5863785-A PROTEINS KANEGAFUCHI CHEMICAL INDUSTRY CO., LTD. (JP) 1999-01-26 US disclosed
EP-0628637-A1 PROCESS FOR PRODUCING D-$g(a)-AMINO ACID Kanegafuchi Chemical Industry Co., Ltd. (JP) 1994-12-14 EP disclosed
US-4312948-A AGROBACTERIUM CULTURE SNAMPROGETTI S.P.A. (IT) 1982-01-26 US disclosed
US-4242452-A ENZYMATIC HYDROLYSIS OF 5-(2- OR 3-THIENYL)HYDANTOIN KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1980-12-30 US disclosed
US-4242452-A ENZYMATIC HYDROLYSIS OF 5-(2- OR 3-THIENYL)HYDANTOIN KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1980-12-30 US disclosed
JP-S557001-A PREPARATION OF N-CARBAMOYL-D-THIENYLGLYCINE KANEGAFUCHI CHEM IND CO LTD 1980-01-18 JP disclosed