SCHEMBL6204861

SCHEMBL6204861

CCOC(CO)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.50
MMP8 P22894 1/20 0.41
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
PPARD Q03181 1/20 0.41
SLC6A2 P23975 2/20 0.41
TAAR1 Q96RJ0 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
MAOA P21397 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CYP2A6 P11509 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
IDO1 P14902 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
EPHX1 P07099 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL18658510 0.84 TRPA1 (0.46) TRPA1PPARGPPARAPPARDSLC6A2
SCHEMBL17680419 0.83 PPARA (0.39) TRPA1PPARGPPARAPPARDIDO1
SCHEMBL7254097 0.83 ESR1 (0.46) PPARASLC6A2TAAR1
SCHEMBL2578194 0.83 PPARA (0.39) TRPA1PPARGPPARAPPARDIDO1
SCHEMBL7332107 0.82 TRPA1 (0.47) TRPA1PPARGPPARASLC6A2SLC6A3
SCHEMBL7332119 0.82 TRPA1 (0.47) TRPA1PPARGPPARASLC6A2SLC6A3
SCHEMBL2557410 0.81 SLC6A2 (0.44) PPARGPPARASLC6A2SLC6A4SLC6A3
SCHEMBL12847348 0.81 TAAR1 (0.45) TRPA1PPARGPPARAPPARDSLC6A2
SCHEMBL5831258 0.80 LDHA (0.50) PPARGPPARAPPARDSLC6A4IDO1
SCHEMBL17669941 0.80 LDHA (0.50) PPARGPPARAPPARDSLC6A4IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110267640-A Cosmetic composition 株式会社资生堂 2019-09-20 CN disclosed
CN-108779352-A Low-emission liquid film for building sealing SIKA技术股份公司 2018-11-09 CN disclosed
CN-108472230-A Composition containing ripple phase, α gel-forming composition, and external composition for skin and α gel composition using the same 株式会社资生堂 2018-08-31 CN disclosed
CN-108472224-A α gel-forming composition and α gel composition 株式会社资生堂 2018-08-31 CN disclosed
CN-107922585-A Low Emission Epoxy Resin Composition SIKA技术股份公司 2018-04-17 CN disclosed
CN-104725397-B Thienopyrimidine derivative, its preparation method and the Pharmaceutical composition containing them 法国施维雅药厂 2017-11-28 CN disclosed
CN-107106586-A Skin barrier function improver and skin barrier function improvement composition 昭和电工株式会社 2017-08-29 CN disclosed
CN-107072916-A Moisture-retaining agent 昭和电工株式会社 2017-08-18 CN disclosed
CN-107004912-A Electrolyte and metal hydride battery 巴斯夫公司 2017-08-01 CN disclosed
CN-106999375-A Oxidation hair dye composition 朋友株式会社 2017-08-01 CN disclosed
CN-101322053-A Optical compensation film, polarizing plate and liquid crystal display device FUJIFILM CORP (JP) 2008-12-10 CN disclosed
CN-101189010-A Tricyclic 6-alkylidene-penems as class D beta-lactamase inhibitors WYETH CORP (US) 2008-05-28 CN disclosed
CN-1649882-A Heterotricyclyl 6-alkylidene-penems as beta epsilontaualpha-lactamase inhibitors WYETH CORP (US) 2005-08-03 CN disclosed
EP-1506175-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-16 EP disclosed
CN-1161336-C Quinoline carboxamides as antiviral agents �������Ŷ���Լ��������˾ 2004-08-11 CN disclosed
WO-2003097609-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDFG RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2003-11-27 WO disclosed
CN-1333753-A Quinoline carboxamides as antiviral agents UPJOHN CO (US) 2002-01-30 CN disclosed
US-RE29834-E PREPARED FROM 4-SULFONYL-1,8-NAPHTHOLACTAMS BAYER AKTIENGESELLSCHAFT (DE) 1978-11-14 US disclosed
US-4091052-A BUTADIENE, ACRYLIC ESTER, FREE RADICAL CATALYSTS NIPPON OIL COMPANY LIMITED (JA) 1978-05-23 US disclosed
US-3959310-A BENZINDOLE BAYER AKTIENGESELLSCHAFT (DT) 1976-05-25 US disclosed