SCHEMBL4729201

SCHEMBL4729201

COc1cc(C(=O)O)cc(C(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.47
RXRB P28702 3/20 0.47
RXRG P48443 1/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.44
CA12 O43570 1/20 0.44
CA3 P07451 1/20 0.44
PKM P14618 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
ALOX15 P16050 2/20 0.44
MAPK1 P28482 2/20 0.44
HSD17B10 Q99714 2/20 0.44

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
SCHEMBL1189363 0.85 MAPT (0.45) CA1CA2MAPTKDM4ECA5A
SCHEMBL4728312 0.84 CA1 (0.48) CA1CA2MAPTKDM4ECA12
SCHEMBL627645 0.84 RXRA (0.51) RXRARXRBRXRGCA1CA2
SCHEMBL11353354 0.84 PARP1 (0.51) CA1CA2MAPTKDM4EALOX15
SCHEMBL31133384 0.84 RXRA (0.51) RXRARXRBRXRGCA1CA2
SCHEMBL4203961 0.83 RXRA (0.42) RXRACA1CA2KDM4ECA12
SCHEMBL166878 0.82 RXRB (0.59) RXRARXRBRXRGCA1CA2
SCHEMBL501957 0.82 RXRB (0.64) RXRARXRBRXRGCA1CA2
SCHEMBL39734 0.82 CA1 (0.60) RXRACA1CA2KDM4ECA12
3,5-Dimethoxybenzoic Acid SCHEMBL503889 0.82 RXRA (0.64) RXRACA1CA2KDM4ECA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008021388-A1 HETEROARYL DERIVATIVES AS CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-02-21 WO disclosed
WO-2008021388-A1 HETEROARYL DERIVATIVES AS CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-02-21 WO disclosed
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
US-4131677-A Anti-inflammatory oxazolo [5,4-b]pyridines MERCK & CO., INC. (US) 1978-12-26 US disclosed
US-4038396-A ANTIPYRETICS, ANALGESICS MERCK & CO., INC. (US) 1977-07-26 US disclosed