SCHEMBL6557201

SCHEMBL6557201

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
POLB P06746 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 1/20 0.37
DAO P14920 1/20 0.37
CYP2C19 P33261 1/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL7765615 0.84 POLB (0.39) CHRM2CHRM1CHRM3POLBTDP1
SCHEMBL11454286 0.80 GSK3B (0.42) CHRM2CHRM1CHRM3POLBTDP1
Hydrochloric Acid SCHEMBL9779525 0.79 POLB (0.39) CHRM2CHRM1CHRM3POLBTDP1
SCHEMBL7158576 0.79 CHRM2 (0.40) CHRM2CHRM1CHRM3POLBTDP1
SCHEMBL1618720 0.79 CHRM2 (0.40) CHRM2CHRM1CHRM3POLBTDP1
SCHEMBL9779378 0.76 GSTO1 (0.35) CHRM2CHRM1CHRM3POLBTDP1
SCHEMBL11199571 0.74 NPC1 (0.44) POLBALDH1A1HPGDKMT2ANPC1
SCHEMBL28938837 0.74 CHRM2 (0.45) CHRM2CHRM1CHRM3POLBTDP1
SCHEMBL7982643 0.74 NPSR1 (0.45) POLBTDP1ALDH1A1HSD17B10DAO
SCHEMBL8167151 0.73 CPA3 (0.49) ALDH1A1HSD17B10HPGDMEN1KMT2A

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
WO-2004020652-A2 AN ENZYMATIC PROCESS FOR PREPARING BETA-LACTAMS BIOFERMA MURCIA, S.A. (ES) 2004-03-11 WO disclosed
WO-2004020649-A1 AN ENZYMATIC PROCESS FOR PREPARING β-LACTAMS BIOFERMA MURCIA, S.A. (ES) 2004-03-11 WO disclosed
WO-2004020651-A1 AN ENZYMATIC PROCESS FOR PREPARING BETA-LACTAMS BIOFERMA MURCIA, S.A. (ES) 2004-03-11 WO disclosed
WO-2004020650-A2 AN ENZYMATIC PROCESS FOR PREPARING BETA-LACTAMS BIOFERMA MURCIA, S.A. (ES) 2004-03-11 WO disclosed
EP-1394262-A1 An enzymatic process for preparing beta-lactams Bioferma Murcia, S.A. (ES) 2004-03-03 EP disclosed