SCHEMBL27346161

SCHEMBL27346161

C=CC(=O)Oc1cc(C(=O)O)c(C(=O)O)c(C(=O)OCC)c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.37
▸ NR1H3 Q13133 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ USP2 O75604 2/20 0.36
▸ MAPT P10636 4/20 0.35
▸ POLB P06746 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ CYP3A4 P08684 3/20 0.35
▸ TSHR P16473 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ THRB P10828 2/20 0.34
▸ THRA P10827 1/20 0.34
▸ GSTO1 P78417 2/20 0.34

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
SCHEMBL27308845 0.89 TSHR (0.43) ALDH1A1CYP3A4TSHRTDP1HSD17B10
SCHEMBL27483078 0.87 THRB (0.42) ALDH1A1CYP3A4TSHRTHRBTHRA
SCHEMBL28022620 0.87 THRB (0.42) ALDH1A1CYP3A4TSHRTHRBTHRA
SCHEMBL27317686 0.87 POLB (0.39) ALDH1A1MAPTPOLBCYP3A4TDP1
SCHEMBL27716749 0.84 THRB (0.36) ALDH1A1MAPTCYP3A4TSHRTDP1
SCHEMBL27400722 0.83 CA12 (0.39) NR1H2NR1H3ALDH1A1USP2MAPT
SCHEMBL17393723 0.79 THRB (0.36) MAPTTSHRTDP1HSD17B10THRB
SCHEMBL27563802 0.79 THRB (0.36) MAPTTSHRTDP1HSD17B10THRB
SCHEMBL28809585 0.79 THRB (0.37) MAPTTSHRHSD17B10THRBTHRA
SCHEMBL27664959 0.79 THRB (0.44) TSHRTHRBTHRAKDM4EMEN1

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102341088-B Curable composition for dental use and composite resin using same KURARAY MEDICAL INC 2014-02-19 — — CN disclosed
CN-103492446-A Novel compound, composition containing same, and cured product MITSU CHEMICALS INC 2014-01-01 — — CN disclosed
CN-103491928-A Dental material, dental material composition, dental repair material, and cured product MITSU CHEMICALS INC 2014-01-01 — — CN disclosed
CN-102014847-B Dental composition and composite resin KURARAY MEDICAL INC 2013-12-04 — — CN disclosed
CN-102014848-B Dental composition and composite resin KURARAY MEDICAL INC 2013-06-19 — — CN disclosed
CN-103118626-A Dental mill blank KURARAY MEDICAL INC 2013-05-22 — — CN disclosed
CN-102702941-A Coating composition TIANCHANG JULONG TRAVEL PAINT CO LTD 2012-10-03 — — CN disclosed
CN-102341088-A Curable composition for dental use and composite resin using same KURARAY MEDICAL INC 2012-02-01 — — CN disclosed
CN-101001886-B Redox curing-type nonaqueous curable composition KURARAY MEDICAL INC 2011-07-13 — — CN disclosed
CN-102014848-A Dental composition and composite resin KURARAY MEDICAL INC 2011-04-13 — — CN disclosed
CN-1703185-A Dental coating kit KURARAY MEDICAL INC (JP) 2005-11-30 — — CN disclosed
CN-1213111-C Photocureable priming coat composition and coating method for using the composition KANSAI COATING CO LTD (JP) 2005-08-03 — — CN disclosed
CN-1177002-C antibacterial composition �����ɷ� 2004-11-24 — — CN disclosed
CN-1152661-C Cementation composite and prepn. method therefor �����ɷ� 2004-06-09 — — CN disclosed
CN-1414040-A Photocureable priming coat composition and coating method for using the composition KANSAI COATING CO LTD (JP) 2003-04-30 — — CN disclosed
CN-1386132-A antibacterial composition KURARAY CO (JP) 2002-12-18 — — CN disclosed
CN-1085074-C Metal fluoride particles and dental composition including said metal fluoride purticles KURARAY CO (JP) 2002-05-22 — — CN disclosed
CN-1277834-A Cementation composite and prepn. method therefor KURARAY CO (JP) 2000-12-27 — — CN disclosed
CN-1172637-A Metal fluoride particles and dental composition including said metal fluoride purticles KURARAY CO (JP) 1998-02-11 — — CN disclosed
CN-1030598-A CURABLE ADHENSIVE COMPOSITIONS MITSUI PETROCHEMICAL IND (JP) 1989-01-25 — — CN disclosed
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