SCHEMBL4407090

SCHEMBL4407090

CC1CCC(c2ccc(O)cc2)(c2ccc(O)cc2)CC1.Oc1ccc(C2(c3ccc(O)cc3)CCCCCCCCCCC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 10/20 0.71
ESR1 P03372 5/20 0.71
ALDH1A1 P00352 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HSD17B10 Q99714 1/20 0.42
ACHE P22303 1/20 0.42
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
ALOX12 P18054 1/20 0.41
HTT P42858 1/20 0.41
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38
ADORA3 P0DMS8 1/20 0.36
HSD11B1 P28845 1/20 0.36

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
SCHEMBL237553 0.93 ESR2 (0.59) ESR2ESR1ALDH1A1MAPTCYP1A2
SCHEMBL23241904 0.86 ACHE (0.61) ESR2ESR1ALDH1A1L3MBTL1HSD17B10
SCHEMBL13379656 0.84 ESR2 (1.00) ESR2ESR1ALDH1A1L3MBTL1HSD17B10
SCHEMBL13379654 0.84 ESR2 (1.00) ESR2ESR1ALDH1A1L3MBTL1HSD17B10
SCHEMBL2131554 0.84 ESR2 (1.00) ESR2ESR1ALDH1A1L3MBTL1HSD17B10
SCHEMBL2132163 0.84 ESR2 (1.00) ESR2ESR1ALDH1A1L3MBTL1HSD17B10
SCHEMBL10777847 0.84 ESR2 (1.00) ESR2ESR1ALDH1A1L3MBTL1HSD17B10
SCHEMBL13379655 0.84 ESR2 (1.00) ESR2ESR1ALDH1A1L3MBTL1HSD17B10
SCHEMBL13379657 0.84 ESR2 (1.00) ESR2ESR1ALDH1A1L3MBTL1HSD17B10
SCHEMBL2131572 0.84 ESR2 (1.00) ESR2ESR1ALDH1A1L3MBTL1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7635748-B2 Resin and article molded therefrom TORAY INDUSTRIES, INC. (JP) 2009-12-22 US disclosed
US-20080139778-A1 Resin and article molded therefrom TAKANISHI KEIJIRO 2008-06-12 US disclosed
US-20060287464-A1 Resin and article molded therefrom TORAY INDUSTRIES, INC. (JP) 2006-12-21 US disclosed
EP-1640405-A1 RESIN AND ARTICLE MOLDED THEREFROM TORAY INDUSTRIES, INC. (JP) 2006-03-29 EP disclosed