SCHEMBL4667231

SCHEMBL4667231

C=CCOC(=O)c1c[c]ccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.53
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 2/20 0.46
TSHR P16473 1/20 0.46
SNCA P37840 1/20 0.46
RHOA P61586 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPSR1 Q6W5P4 1/20 0.37
MAPT P10636 2/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL7626211 0.81 CYP3A4 (0.38) CYP3A4ALDH1A1HSD17B10TSHRSNCA
SCHEMBL482868 0.80 CYP3A4 (0.55) CYP3A4ALDH1A1HSD17B10TSHRSNCA
Benzene SCHEMBL28207781 0.79 CYP3A4 (0.69) CYP3A4ALDH1A1HSD17B10TSHRSNCA
SCHEMBL21007 0.79 CYP3A4 (0.69) CYP3A4ALDH1A1HSD17B10TSHRSNCA
SCHEMBL28343462 0.79 CYP3A4 (0.69) CYP3A4ALDH1A1HSD17B10TSHRSNCA
SCHEMBL5846076 0.78 TDP1 (0.39) CYP3A4ALDH1A1TSHRMEN1KMT2A
SCHEMBL128588 0.78 CA12 (0.50) CYP3A4TSHRMEN1KMT2ALMNA
SCHEMBL1355708 0.78 CYP3A4 (0.67) CYP3A4ALDH1A1HSD17B10TSHRSNCA
SCHEMBL16372021 0.78 CYP3A4 (0.61) CYP3A4ALDH1A1HSD17B10TSHRSNCA
SCHEMBL7587574 0.78 CYP3A4 (0.67) CYP3A4ALDH1A1HSD17B10TSHRSNCA

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-1926732-B1 A PROCESS FOR THE PREPARATION OF CARBAPENEM COMPOUNDS RANBAXY LAB LTD (IN) 2013-11-06 EP disclosed
EP-1926732-A2 A PROCESS FOR THE PREPARATION OF CARBAPENEM COMPOUNDS RANBAXY LABORATORIES, LTD. (IN) 2008-06-04 EP disclosed
WO-2007029084-A2 A PROCESS FOR THE PREPARATION OF CARBAPENEM COMPOUNDS RANBAXY LABORATORIES LIMITED (IN) 2007-03-15 WO disclosed