SCHEMBL5331876

SCHEMBL5331876

COC(=O)c1cccc(O)c1OC(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
LMNA P02545 2/20 0.58
CA1 P00915 5/20 0.52
CA2 P00918 5/20 0.52
CA9 Q16790 5/20 0.52
CA12 O43570 4/20 0.52
CA7 P43166 4/20 0.52
CA14 Q9ULX7 4/20 0.52
PNLIP P16233 1/20 0.43
ALDH1A1 P00352 3/20 0.43
CFTR P13569 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CA5A P35218 1/20 0.42
KDM4E B2RXH2 3/20 0.42
ATM Q13315 2/20 0.42
POLB P06746 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK4 Q16654 1/20 0.42
GAA P10253 2/20 0.41
KMT2A Q03164 2/20 0.41

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
SCHEMBL2662773 0.84 LMNA (0.51) TSHRLMNACA1CA2CA9
SCHEMBL12313575 0.83 CXCR5 (0.52) TSHRLMNAALDH1A1CFTRHSD17B10
SCHEMBL7795902 0.83 IRAK4 (0.51) TSHRLMNAALDH1A1CFTRHSD17B10
SCHEMBL31311107 0.83 ALDH1A1 (0.48) LMNACA1CA2CA9CA12
Methyl 3-Hydroxy-2-Methoxybenzoate SCHEMBL1050662 0.82 LMNA (0.66) TSHRLMNACA1CA2CA9
SCHEMBL7838547 0.82 TSHR (0.43) TSHRLMNACA1CA2CA9
SCHEMBL4385204 0.81 LMNA (0.59) TSHRLMNACA1CA2CA9
SCHEMBL7842794 0.81 IRAK4 (0.45) TSHRLMNAALDH1A1CFTRHSD17B10
SCHEMBL11299803 0.77 IRAK4 (0.49) TSHRLMNACA1CA2CA9
SCHEMBL15814877 0.77 IRAK4 (0.51) TSHRLMNACA1CA2CA9

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
WO-2007140317-A2 USE OF INHIBITORS OF CYTOSOLIC PH0SPH0LIPASE A2 IN THE TREATMENT OF THROMBOSIS WYETH (US) 2007-12-06 WO disclosed
EP-1451154-A2 INHIBITORS OF CYTOSOLIC PHOSPHOLIPASE A2 Wyeth (US) 2004-09-01 EP disclosed
WO-2003048122-A2 INHIBITORS OF CYTOSOLIC PHOSPHOLIPASE A2 WYETH (US) 2003-06-12 WO disclosed