SCHEMBL8788019

SCHEMBL8788019

C=CCOC(=O)c1ccc(F)cc1N

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
HSD17B10 Q99714 4/20 0.63
TSHR P16473 3/20 0.63
CYP3A4 P08684 1/20 0.54
POLB P06746 2/20 0.41
MAPK1 P28482 1/20 0.41
KEAP1 Q14145 1/20 0.40
SNCA P37840 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
RAB9A P51151 2/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 3/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
ATM Q13315 1/20 0.37
CFTR P13569 1/20 0.37
PKM P14618 1/20 0.36

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
SCHEMBL8759548 0.88 ALDH1A1 (0.63) ALDH1A1HSD17B10TSHRCYP3A4POLB
SCHEMBL2831224 0.84 CYP3A4 (0.57) ALDH1A1HSD17B10TSHRCYP3A4POLB
SCHEMBL8788349 0.83 ALDH1A1 (0.65) ALDH1A1HSD17B10TSHRCYP3A4POLB
SCHEMBL7752080 0.82 ALDH1A1 (0.63) ALDH1A1HSD17B10TSHRCYP3A4POLB
SCHEMBL8786716 0.81 CFTR (0.61) ALDH1A1HSD17B10TSHRCYP3A4MAPK1
SCHEMBL27389269 0.81 ALDH1A1 (0.61) ALDH1A1HSD17B10TSHRCYP3A4SNCA
SCHEMBL8788977 0.81 ALDH1A1 (0.61) ALDH1A1HSD17B10TSHRCYP3A4SNCA
SCHEMBL1548072 0.80 HSD17B10 (0.60) ALDH1A1HSD17B10TSHRCYP3A4POLB
SCHEMBL8786984 0.79 ALDH1A1 (0.60) ALDH1A1HSD17B10TSHRCYP3A4POLB
Hydrochloric Acid SCHEMBL9541412 0.78 HSD17B10 (0.58) ALDH1A1HSD17B10TSHRCYP3A4POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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