SCHEMBL8539340

SCHEMBL8539340

C=CCOC(=O)c1cc(N)c2ccccc2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
TSHR P16473 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CYP3A4 P08684 1/20 0.48
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
GABRA4 P48169 1/20 0.43
GABRE P78334 1/20 0.43
GABRA6 Q16445 1/20 0.43
GABRG1 Q8N1C3 1/20 0.43
GABRG3 Q99928 1/20 0.43
GABRQ Q9UN88 1/20 0.43

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
SCHEMBL8540048 0.84 TSHR (0.52) ALDH1A1TSHRHSD17B10CYP3A4GABRP
SCHEMBL1315731 0.77 KDM4E (0.52) ALDH1A1HSD17B10NCF1ACHEALOX15
SCHEMBL8546392 0.77 ADORA3 (0.53) ALDH1A1TSHRHSD17B10CYP3A4GABRP
SCHEMBL14746991 0.76 ALDH1A1 (0.55) ALDH1A1TSHRHSD17B10CYP3A4GABRP
SCHEMBL1314146 0.75 ALOX15 (0.58) ALDH1A1TSHRHSD17B10NCF1ACHE
SCHEMBL8545253 0.74 ALDH1A1 (0.47) ALDH1A1TSHRHSD17B10CYP3A4GABRP
SCHEMBL8540920 0.72 ALDH1A1 (0.43) ALDH1A1TSHRHSD17B10CYP3A4GABRP
SCHEMBL11604488 0.72 ALDH1A1 (0.57) ALDH1A1TSHRHSD17B10CYP3A4GABRP
SCHEMBL8541938 0.72 ALDH1A1 (0.50) ALDH1A1TSHRHSD17B10CYP3A4GABRP
SCHEMBL6217194 0.72 CYP3A4 (0.59) ALDH1A1TSHRHSD17B10CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0581500-B1 Antibiotic carbapenem compounds ZENECA LTD (GB) 1998-09-09 EP disclosed
US-5441949-A Carbapenem antibiotic compounds ZENECA LIMITED (GB) 1995-08-15 US disclosed
EP-0581500-A1 Antibiotic carbapenem compounds ZENECA LIMITED (GB) 1994-02-02 EP disclosed