SCHEMBL4170802

SCHEMBL4170802

C=C(C)C(=O)OCc1ccccc1.C=CC(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
HCAR2 Q8TDS4 1/20 0.51
LMNA P02545 3/20 0.49
AKR1B10 O60218 2/20 0.46
AKR1B1 P15121 2/20 0.46
CA12 O43570 2/20 0.46
CA4 P22748 2/20 0.46
CA6 P23280 2/20 0.46
CA5A P35218 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
CA5B Q9Y2D0 2/20 0.46
THRB P10828 1/20 0.45
TGM2 P21980 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 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
Methacrylic Acid SCHEMBL28171879 0.94 HCAR2 (0.50) ALDH1A1HCAR2LMNAAKR1B10AKR1B1
Acrylic Acid Ethyl Ester SCHEMBL3690840 0.93 ALDH1A1 (0.49) ALDH1A1HCAR2LMNATHRBTGM2
SCHEMBL28246245 0.93 ALDH1A1 (0.49) ALDH1A1HCAR2LMNAAKR1B10AKR1B1
SCHEMBL28311598 0.92 ALDH1A1 (0.47) ALDH1A1HCAR2LMNAAKR1B10AKR1B1
SCHEMBL628109 0.91 ALDH1A1 (0.50) ALDH1A1HCAR2LMNAAKR1B10AKR1B1
Acrylic Acid Methyl Ester SCHEMBL27594684 0.91 ALDH1A1 (0.50) ALDH1A1HCAR2LMNAAKR1B10AKR1B1
Acrylic Acid Ethyl Ester SCHEMBL28277476 0.91 ALDH1A1 (0.44) ALDH1A1HCAR2LMNAAKR1B10AKR1B1
Acrylic Acid SCHEMBL1224596 0.91 ALDH1A1 (0.56) ALDH1A1HCAR2LMNAAKR1B10AKR1B1
Methacrylic Acid SCHEMBL6054004 0.91 ALDH1A1 (0.56) ALDH1A1HCAR2LMNAAKR1B10AKR1B1
SCHEMBL1395905 0.90 ALDH1A1 (0.46) ALDH1A1HCAR2LMNAAKR1B10AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090093601-A1 Photochromic Compounds Comprising Polymeric Substituents And Methods For Preparation And Use Thereof POLYMERS AUSTRALIA PTY LIMITED (AU) 2009-04-09 US claimed
EP-1802726-A4 PHOTOCHROMIC COMPOUNDS COMPRISING POLYMERIC SUBSTITUENTS AND METHODS FOR PREPARATION AND USE THEREOF POLYMERS AUSTRALIA PTY LTD (AU) 2008-04-30 EP claimed
EP-1802726-A1 PHOTOCHROMIC COMPOUNDS COMPRISING POLYMERIC SUBSTITUENTS AND METHODS FOR PREPARATION AND USE THEREOF Polymers Australia PTY Limited (AU) 2007-07-04 EP claimed
WO-2006024099-A1 PHOTOCHROMIC COMPOUNDS COMPRISING POLYMERIC SUBSTITUENTS AND METHODS FOR PREPARATION AND USE THEREOF POLYMERS AUSTRALIA PTY LIMITED (AU) 2006-03-09 WO claimed
CN-119391032-A Preparation and application of zwitterionic polymer monomer modified soft hydrophobic acrylate copolymer 厦门大学 2025-02-07 CN disclosed
CN-109124826-B Ophthalmic lens 爱博诺德(北京)医疗科技股份有限公司 2025-01-10 CN disclosed
EP-0397683-B1 COMPOSITIONS FOR MAKING IMPROVED GAS PERMEABLE CONTACT LENSES FUSED KONTACTS OF CHICAGO INC (US) 1994-03-16 EP disclosed
EP-0397683-A4 COMPOSITIONS FOR MAKING IMPROVED GAS PERMEABLE CONTACT LENSES 1991-01-30 EP disclosed
EP-0397683-A1 COMPOSITIONS FOR MAKING IMPROVED GAS PERMEABLE CONTACT LENSES. FUSED KONTACTS OF CHICAGO INC (US) 1990-11-22 EP disclosed
WO-1990002144-A1 COMPOSITIONS FOR MAKING IMPROVED GAS PERMEABLE CONTACT LENSES FUSED KONTACTS OF CHICAGO, INC. (US) 1990-03-08 WO disclosed
US-4766189-A POLYMER FROM UNSATURATED SILICATE, LOWER ALKYL ESTER SILOXANE, ACRYLIC ESTER, FLUOROACRYLIC ESTER AND WETTING AGENT FUSED KONTACTS OF CHICAGO, INC. (US) 1988-08-23 US disclosed