SCHEMBL7376121

SCHEMBL7376121

COC(=O)C(=Cc1ccccc1)CC(=O)OOC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.44
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
MME P08473 2/20 0.37
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
NR1I2 O75469 1/20 0.36
PTGS2 P35354 1/20 0.36
AKR1C3 P42330 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
SCHEMBL1914726 0.86 RECQL (0.46) RECQLMEN1KMT2ACYP3A4CYP2C9
SCHEMBL1914722 0.86 RECQL (0.46) RECQLMEN1KMT2ACYP3A4CYP2C9
SCHEMBL7431926 0.84 RECQL (0.53) RECQLMEN1KMT2ACYP3A4CYP2C9
SCHEMBL7377043 0.84 RECQL (0.53) RECQLMEN1KMT2ACYP3A4CYP2C9
SCHEMBL7377051 0.84 RECQL (0.53) RECQLMEN1KMT2ACYP3A4CYP2C9
SCHEMBL1915838 0.79 RECQL (0.69) RECQLMEN1KMT2ACYP3A4CYP2C9
SCHEMBL1915834 0.79 RECQL (0.69) RECQLMEN1KMT2ACYP3A4CYP2C9
SCHEMBL1915837 0.79 RECQL (0.69) RECQLMEN1KMT2ACYP3A4CYP2C9
SCHEMBL2875911 0.78 RECQL (0.42) RECQLALDH1A1MEN1KMT2AMAPT
SCHEMBL11818250 0.76 RECQL (0.51) RECQLTDP1MEN1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912545-A1 HYDROXAMIC ACID BASED COLLAGENASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1999-05-06 EP disclosed
WO-1997026257-A1 HYDROXAMIC ACID BASED COLLAGENASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1997-07-24 WO disclosed