SCHEMBL5803076

SCHEMBL5803076

c1ccc(COCn2cccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
IDO1 P14902 1/20 0.43
AGXT P21549 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CA1 P00915 4/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
TACR1 P25103 2/20 0.39
LTA4H P09960 1/20 0.39
NAAA Q02083 1/20 0.37

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
SCHEMBL28229246 0.77 ALDH1A1 (0.38) TSHRALDH1A1CA1CA2POLB
SCHEMBL532592 0.77 CYP11B1 (0.61) POLBLTA4H
SCHEMBL27380 0.75 TSHR (1.00) TSHRIDO1AGXTALDH1A1CA1
Benzene SCHEMBL27997624 0.75 TSHR (1.00) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL5311581 0.75 TSHR (1.00) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL1563130 0.75 TSHR (0.48) TSHRIDO1AGXTALDH1A1KDM4E
SCHEMBL9725547 0.73 TSHR (0.94) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL9795394 0.73 TSHR (0.94) TSHRIDO1AGXTCA1CA2
Barium SCHEMBL3798966 0.73 TSHR (0.94) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL9491202 0.73 TSHR (0.94) TSHRIDO1AGXTALDH1A1CA1

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
CN-101495117-B Aqueous liquid preparation containing amide compound SENJU PHARMA CO 2012-08-15 CN disclosed
CN-100548375-C Antitumor effect potentiators MITSUBISHI PHARMACEUTICALS CO (JP) 2009-10-14 CN disclosed
CN-101495117-A Aqueous liquid preparation containing amide compound SENJU PHARMA CO (JP) 2009-07-29 CN disclosed
CN-100438910-C Preventives/remedies for liver diseases MITSUBISHI PHARMACEUTICAL CO L (JP) 2008-12-03 CN disclosed
CN-1293878-C Preventing or curing agent for eye fatigue and pseudomyopia SENJU PHARMA CO (JP) 2007-01-10 CN disclosed
WO-2006073938-A2 METHOD FOR THE SYNTHESIS OF 3-SUBSTITUTED INDOLIZINE AND BENZOINDOLIZINE COMPOUNDS EAST CAROLINA UNIVERSITY (US) 2006-07-13 WO disclosed
CN-1195547-C Preventive/remedy for glaucoma SENJI PHARMACEUTICAL CO LTD (JP) 2005-04-06 CN disclosed
CN-1494903-A Preventing or curing agent for eye fatigue and pseudomyopia ǧ����ҩ��ʽ���� 2004-05-12 CN disclosed