SCHEMBL1898408

SCHEMBL1898408

Cc1cc(-c2ccc(OPOc3ccc(-c4cc(C)c(C(C)(C)C)cc4C(C)(C)C)c(-c4ccccc4)c3)cc2-c2ccccc2)c(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SHMT1 P34896 1/20 0.35
ESR2 Q92731 1/20 0.33
ESRRA P11474 1/20 0.32
EPHX1 P07099 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KDM4E B2RXH2 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PIN1 Q13526 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL1897895 0.83 NPC1 (0.36) SHMT1ESRRANPC1RAB9AKDM4E
SCHEMBL29072291 0.80 ESR2 (0.38) ESR2KDM4EL3MBTL1LMNAADORA3
SCHEMBL2001067 0.80 NPC1 (0.34) SHMT1ESRRAPPARGPPARANPC1
SCHEMBL29072289 0.75 ESR2 (0.39) ESR2NPC1RAB9AKDM4ELMNA
SCHEMBL1905584 0.72 ESR2 (0.31) ESR2
SCHEMBL30558204 0.71 ESR2 (0.35) ESR2
SCHEMBL27727018 0.70 ESR2 (0.42) ESR2KDM4ELMNAADORA3ADORA2A
SCHEMBL30692692 0.70 ESR2 (0.36) ESR2ESRRA
SCHEMBL28390382 0.69 MEN1 (0.31) ESR2
SCHEMBL27727013 0.69 ESR2 (0.43) ESR2KDM4ELMNAADORA3ADORA2A

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
US-8969436-B2 Method of producing a molded article TEIJIN CHEMICALS, LTD. (JP) 2015-03-03 US disclosed
US-20110147992-A1 METHOD OF PRODUCING A MOLDED ARTICLE TEIJIN CHEMICALS, LTD. (JP) 2011-06-23 US disclosed
EP-2319887-A1 METHOD FOR MANUFACTURING MOLDED ARTICLE Teijin Chemicals, Ltd. (JP) 2011-05-11 EP disclosed