SCHEMBL7128923

SCHEMBL7128923

COc1ccc(C(C)(O)c2ccc(OC)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.55
CA2 P00918 4/20 0.55
CA7 P43166 2/20 0.55
CA9 Q16790 2/20 0.55
CA12 O43570 1/20 0.55
CA14 Q9ULX7 1/20 0.55
AOC3 Q16853 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPT P10636 1/20 0.50
HSD11B1 P28845 1/20 0.49
ALDH1A1 P00352 2/20 0.48
MAPK1 P28482 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
LMNA P02545 1/20 0.48
ALOX15 P16050 1/20 0.48
APEX1 P27695 1/20 0.48
RECQL P46063 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ACHE P22303 1/20 0.46

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
SCHEMBL9906174 0.91 CA4 (0.52) CA1CA2CA7CA9CA12
SCHEMBL14335542 0.89 APP (0.47) CA1CA2CA7CA9CA12
SCHEMBL29226394 0.88 SMN1; SMN2 (0.48) CA1CA2CA7CA9CA12
SCHEMBL29226395 0.88 SMN1; SMN2 (0.48) CA1CA2CA7CA9CA12
SCHEMBL18383078 0.88 LTA4H (0.50) CA1CA2CA7CA9CA12
SCHEMBL18383088 0.86 LTA4H (0.61) AOC3MEN1KMT2AMAPTALDH1A1
SCHEMBL18387603 0.86 NQO1 (0.52) AOC3MAPTALDH1A1MAPK1TDP1
SCHEMBL29403480 0.85 HSD11B1 (0.58) CA1CA2CA7CA9CA12
SCHEMBL2029320 0.85 CA1 (0.55) CA1CA2CA7CA9CA12
SCHEMBL30522141 0.84 MAOA (0.47) CA1CA2CA7CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3992221-A1 RESIN COMPOSITION, RESIN SHEET, LAYERED PRODUCT, SEMICONDUCTOR WAFER WITH RESIN COMPOSITION LAYER, SUBSTRATE WITH RESIN COMPOSITION LAYER FOR SEMICONDUCTOR MOUNTING, AND SEMICONDUCTOR DEVICE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2022-05-04 EP disclosed
WO-2017216576-A1 AUTOPHAGY INDUCER COMPOUNDS EPSILON-3 BIO LIMITED (GB) 2017-12-21 WO disclosed
US-8502401-B2 Polymeric compositions comprising per(phenylethynyl) arene derivatives Delsper LP (US) 2013-08-06 US disclosed
US-8373287-B2 2013-02-12 US disclosed
US-20110260343-A1 POLYMERIC COMPOSITIONS COMPRISING PER(PHENYLETHYNYL) ARENE DERIVATIVES AIR PRODUCTS AND CHEMICALS, INC. (US) 2011-10-27 US disclosed
US-20070072136-A1 Photothermographic material FUJI PHOTO FILM CO., LTD. 2007-03-29 US disclosed
EP-1317461-A1 4-CYCLOHEXYL-1,3,2-OXAZABOROLIDINE CHIRAL ACCESSORIES SCHERING CORPORATION (US) 2003-06-11 EP disclosed
WO-2002022623-A1 4-CYCLOHEXYL-1,3,2-OXAZABOROLIDINE CHIRAL ACCESSORIES SCHERING CORPORATION (US) 2002-03-21 WO disclosed