SCHEMBL7792652

SCHEMBL7792652

COc1ccc(C(=O)O)cc1C(C)(C)CC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA4 P22748 1/20 0.56
CA6 P23280 1/20 0.56
CA7 P43166 1/20 0.56
TPMT P51580 1/20 0.56
CA9 Q16790 1/20 0.56
CA14 Q9ULX7 1/20 0.56
PKM P14618 2/20 0.54
RARA P10276 2/20 0.53
RARB P10826 2/20 0.53
RARG P13631 2/20 0.53
HTT P42858 2/20 0.51
LMNA P02545 2/20 0.51
MAPK1 P28482 1/20 0.51
RAB9A P51151 1/20 0.51
TSHR P16473 2/20 0.51
NPSR1 Q6W5P4 1/20 0.49
WDR5 P61964 1/20 0.48

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
SCHEMBL7792843 0.86 CA12 (0.57) CA12CA1CA2CA4CA6
SCHEMBL9468101 0.85 TSHR (0.58) CA12CA1CA2CA4CA6
SCHEMBL7792653 0.83 TSHR (0.50) CA12CA1CA2CA4CA6
SCHEMBL1421835 0.82 RARA (0.73) CA12CA1CA2CA4CA6
SCHEMBL31325762 0.82 RARA (0.73) CA12CA1CA2CA4CA6
SCHEMBL9132226 0.82 PLA2G4B (0.51) CA12CA1CA2CA4CA6
SCHEMBL8090921 0.82 PLA2G4B (0.51) CA12CA1CA2CA4CA6
Hydrochloric Acid SCHEMBL9130554 0.81 PLA2G4B (0.50) CA12CA1CA2CA4CA6
SCHEMBL7943051 0.81 HDAC6 (0.48) RARARARBRARGHTTMAPK1
Hydrochloric Acid SCHEMBL9131236 0.81 RARA (0.71) CA12CA1CA2CA4CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0823435-B1 Phosphites, process for producing the same and their use SUMITOMO CHEMICAL CO (JP) 2001-11-21 EP disclosed
US-6242514-B1 CYCLIC PHOSPHATE OR PHOSPHONATE; HEAT AND OXIDATION STABILIZER ESPECIALLY FOR OLEFIN POLYMERS AND ENGINEERING THERMOPLASTICS SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2001-06-05 US disclosed
US-5914361-A IMPART HEAT STABILITY TO ORGANIC MATERIALS, INCLUDING POLYOLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-06-22 US disclosed
US-5889095-A OXYGEN AND HEAT RESISTANCE SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1999-03-30 US disclosed
EP-0823435-A2 Phosphites, process for producing the same and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-02-11 EP disclosed