SCHEMBL8044896

SCHEMBL8044896

C=CC(=O)OCCCOc1ccc2ccccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.59
KDM4E B2RXH2 4/20 0.53
HDAC1 Q13547 2/20 0.51
MAPK1 P28482 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
PTPN7 P35236 1/20 0.50
ALDH1A1 P00352 3/20 0.49
TSHR P16473 2/20 0.47
HPGD P15428 2/20 0.47
CYP3A4 P08684 2/20 0.47
PPARG P37231 4/20 0.47
PPARA Q07869 4/20 0.47
PPARD Q03181 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HTT P42858 1/20 0.46
NCOA2 Q15596 1/20 0.46
NCOA1 Q15788 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
SCHEMBL16893800 0.97 THRB (0.59) THRBKDM4EHDAC1MAPK1TDP1
SCHEMBL29902172 0.97 THRB (0.59) THRBKDM4EHDAC1MAPK1TDP1
SCHEMBL3735961 0.96 THRB (0.57) THRBKDM4EHDAC1MAPK1TDP1
SCHEMBL16893713 0.96 THRB (0.57) THRBKDM4EHDAC1MAPK1TDP1
SCHEMBL27174609 0.96 THRB (0.57) THRBKDM4EHDAC1MAPK1TDP1
SCHEMBL16893600 0.96 THRB (0.57) THRBKDM4EHDAC1MAPK1TDP1
SCHEMBL16893901 0.96 THRB (0.57) THRBKDM4EHDAC1MAPK1TDP1
SCHEMBL16893771 0.96 THRB (0.57) THRBKDM4EHDAC1MAPK1TDP1
SCHEMBL632262 0.96 THRB (0.57) THRBKDM4EHDAC1MAPK1TDP1
SCHEMBL30095996 0.93 THRB (0.69) THRBKDM4EHDAC1MAPK1TDP1

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
WO-2000079312-A1 HIGH REFRACTIVE INDEX COMPOSITIONS FOR OPHTHALMIC IMPLANTS BAUSCH & LOMB SURGICAL, INC. (US) 2000-12-28 WO claimed
US-10670796-B2 Organic-inorganic hybrid composition, optical member and optical device prepared using the same LMS CO., LTD. (KR) 2020-06-02 US disclosed
US-20160070053-A1 ORGANIC-INORGANIC HYBRID COMPOSITION, OPTICAL MEMBER AND OPTICAL DEVICE PREPARED USING THE SAME LMS CO., LTD. (KR) 2016-03-10 US disclosed
US-20150198740-A1 ORGANIC-INORGANIC HYBRID COMPOSITION, PRODUCTION METHOD FOR SAME, AND OPTICAL SHEET AND OPTICAL DEVICE OF SAME CHANGKANG CHEMICAL CO., LTD. (KR) 2015-07-16 US disclosed
WO-2000079312-A1 HIGH REFRACTIVE INDEX COMPOSITIONS FOR OPHTHALMIC IMPLANTS BAUSCH & LOMB SURGICAL, INC. (US) 2000-12-28 WO disclosed