SCHEMBL996244

SCHEMBL996244

CCc1cccc(C(=O)OC(C)(C)C)c1OC

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
POLB P06746 2/20 0.39
KMT2A Q03164 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
LMNA P02545 3/20 0.36
MAPT P10636 2/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HTT P42858 1/20 0.36
TSHR P16473 1/20 0.36
EGFR P00533 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SLC7A5 Q01650 1/20 0.35
CLCN2 P51788 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CTSS P25774 1/20 0.34

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
SCHEMBL31410746 0.88 POLB (0.37) POLBKMT2AMRGPRX4LMNAMAPT
SCHEMBL31410739 0.87 NR1H4 (0.43) POLBKMT2AMRGPRX4HSD17B10SLC7A5
SCHEMBL15777721 0.85 POLB (0.36) POLBKMT2AMRGPRX4LMNAMAPT
SCHEMBL31410740 0.84 KDM4E (0.40) GABRA1GABRB2POLBKMT2AMRGPRX4
SCHEMBL28104610 0.83 ALDH1A1 (0.50) POLBKMT2ALMNAMAPTALDH1A1
SCHEMBL31410748 0.82 ALDH1A1 (0.44) POLBKMT2ALMNAMAPTALDH1A1
SCHEMBL951581 0.82 TSHR (0.46) GABRA1GABRB2LMNAADRA1AADRA1B
SCHEMBL29196257 0.81 TSHR (0.59) POLBKMT2ALMNAMAPTALDH1A1
SCHEMBL15110860 0.81 KMT2A (0.54) POLBKMT2ALMNAMAPTALDH1A1
SCHEMBL23888869 0.80 KMT2A (0.38) POLBKMT2ALMNAADRA1AADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010130708-A9 BETA-LACTAMASE INHIBITORS NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-01-13 WO disclosed