SCHEMBL2851512

SCHEMBL2851512

CC(C)C(C(=O)O)(C(=O)O)C1CC=CCC1C(C(=O)O)(C(=O)O)C(C)C

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.31
CYP2C9 P11712 1/20 0.31
HIF1A Q16665 1/20 0.31
CYP1A2 P05177 1/20 0.31
GRM2 Q14416 1/20 0.31
GRM3 Q14832 1/20 0.31

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
SCHEMBL2859696 0.89 KDM4E (0.33)
SCHEMBL2854415 0.77 KEAP1 (0.33) CYP2D6CYP1A2GRM2GRM3
SCHEMBL2861176 0.77 RECQL (0.33) CYP2D6CYP1A2GRM2GRM3
SCHEMBL2858211 0.76 GRM2 (0.33) CYP2D6CYP1A2GRM2GRM3
SCHEMBL2855828 0.76 EPHX1 (0.33) CYP2D6CYP1A2GRM2GRM3
SCHEMBL2851752 0.70
SCHEMBL2855690 0.70 GRM2 (0.30) GRM2GRM3
SCHEMBL2852533 0.70
SCHEMBL28004680 0.68 KEAP1 (0.37)
SCHEMBL2861725 0.68 GRM2 (0.31) GRM2GRM3

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
CN-105837714-A METHOD FOR PRODUCING SOLID CATALYST COMPONENT FOR USE IN POLYMERIZATION OF OLEFIN, CATALYST FOR USE IN POLYMERIZATION OF OLEFIN, AND METHOD FOR PRODUCING OLEFIN POLYMER 东邦钛株式会社 2016-08-10 CN disclosed
US-8822366-B2 Solid titanium catalyst component, catalyst for olefin polymerization and process for polymerizing olefin MITSUI CHEMICALS, INC. (JP) 2014-09-02 US disclosed
EP-2206731-B1 SOLID TITANIUM CATALYST COMPONENT, OLEFIN POLYMERIZATION CATALYST, AND OLEFIN POLYMERIZATION METHOD MITSUI CHEMICALS INC (JP) 2013-08-28 EP disclosed
US-20100227991-A1 SOLID TITANIUM CATALYST COMPONENT, CATALIST FOR OLEFIN POLYMERIZATION AND PROCESS FOR POLYMERIZING OLEFIN MITSUI CHEMICALS, INC. (JP) 2010-09-09 US disclosed
EP-2206731-A1 SOLID TITANIUM CATALYST COMPONENT, OLEFIN POLYMERIZATION CATALYST, AND OLEFIN POLYMERIZATION METHOD Mitsui Chemicals, Inc. (JP) 2010-07-14 EP disclosed