SCHEMBL8788657

SCHEMBL8788657

C=CCOC(=O)c1cc(Cl)ccc1N

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
TSHR P16473 2/20 0.63
HSD17B10 Q99714 2/20 0.63
CYP3A4 P08684 2/20 0.54
GAA P10253 2/20 0.51
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
KDM4E B2RXH2 3/20 0.46
GLA P06280 1/20 0.46
RECQL P46063 1/20 0.45
FADS1 O60427 1/20 0.44
ABL1 P00519 1/20 0.43
HPGD P15428 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 2/20 0.42
PKM P14618 1/20 0.42
NOS2 P35228 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
ATM Q13315 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
SCHEMBL7752080 0.88 ALDH1A1 (0.63) ALDH1A1TSHRHSD17B10CYP3A4GAA
SCHEMBL9277982 0.84 CYP3A4 (0.57) ALDH1A1TSHRHSD17B10CYP3A4GAA
SCHEMBL8787273 0.83 ALDH1A1 (0.65) ALDH1A1TSHRHSD17B10CYP3A4GAA
SCHEMBL8786921 0.82 ALDH1A1 (0.63) ALDH1A1TSHRHSD17B10CYP3A4GAA
SCHEMBL10955418 0.82 ALDH1A1 (0.63) ALDH1A1TSHRHSD17B10CYP3A4GAA
SCHEMBL27413689 0.82 ALDH1A1 (0.63) ALDH1A1TSHRHSD17B10CYP3A4GAA
SCHEMBL31190001 0.82 ALDH1A1 (0.63) ALDH1A1TSHRHSD17B10CYP3A4GAA
SCHEMBL8759548 0.82 ALDH1A1 (0.63) ALDH1A1TSHRHSD17B10CYP3A4GAA
SCHEMBL4975483 0.81 CYP3A4 (0.57) ALDH1A1TSHRHSD17B10CYP3A4GAA
SCHEMBL8788598 0.81 ALDH1A1 (0.61) ALDH1A1TSHRHSD17B10CYP3A4GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0518374-B1 A process for the preparation of alkyl 3-chloroanthranilates DOWELANCO (US) 1996-05-01 EP claimed
EP-0518374-A2 A process for the preparation of alkyl 3-chloroanthranilates DOWELANCO (US) 1992-12-16 EP claimed
US-5118832-A 1,2-dichloro-5,5-dimethylhydantoin chlorinating agent; selective acetylation of 5-chloro isome r to purify DOWELANCO (US) 1992-06-02 US claimed
EP-0508682-B1 Antibiotic carbapenem derivatives ZENECA LTD (GB) 1997-07-23 EP disclosed
US-5541178-A THIENAMYCINS ZENECA LIMITED (GB) 1996-07-30 US disclosed
EP-0518374-B1 A process for the preparation of alkyl 3-chloroanthranilates DOWELANCO (US) 1996-05-01 EP disclosed
EP-0518374-A2 A process for the preparation of alkyl 3-chloroanthranilates DOWELANCO (US) 1992-12-16 EP disclosed
CN-1066657-A Antimicrobial compounds ICI PLC (GB) 1992-12-02 CN disclosed
WO-1992017481-A1 ANTIBIOTIC CARBAPENEM DERIVATIVES ZENECA LTD. (GB) 1992-10-15 WO disclosed
EP-0508682-A1 Antibiotic carbapenem derivatives ZENECA LIMITED (GB) 1992-10-14 EP disclosed