SCHEMBL6417833

SCHEMBL6417833

CC=C=CCC(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
MGAM O43451 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
ALDH1A1 P00352 4/20 0.41
TRPA1 O75762 1/20 0.41
CYP1A2 P05177 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALOX15 P16050 1/20 0.34
SOAT1 P35610 1/20 0.34
NR1I2 O75469 1/20 0.33
PGR P06401 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
PTGS2 P35354 1/20 0.33
PDE4D Q08499 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL6417600 0.84 HCAR2 (0.37) ALDH1A1LMNAHSD17B10HCAR2NPSR1
SCHEMBL11800330 0.83 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL11442843 0.81 ATM (0.46) ALDH1A1HCAR2NPSR1
SCHEMBL8198743 0.78
SCHEMBL6420493 0.78
SCHEMBL6184922 0.78
SCHEMBL20109320 0.77
SCHEMBL17365084 0.76 FAAH (0.41) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1986853 0.75
SCHEMBL28361673 0.74 MGAM (0.36) GAAMGAMSIMGAM2ALDH1A1

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-106243478-A A kind of ceramic fireproof cable material of polyolefin and preparation method thereof 衡阳恒飞电缆有限责任公司 2016-12-21 CN claimed
US-20050163827-A1 Transdermal therapeutic delivery system ZECH HERBERT (AT) 2005-07-28 US claimed
CN-115209890-A Alkannin and arylnaphthalene lignan for inhibiting expression of proinflammatory genes and pharmaceutical composition containing same 宝洁公司 2022-10-18 CN disclosed
CN-106243478-A A kind of ceramic fireproof cable material of polyolefin and preparation method thereof 衡阳恒飞电缆有限责任公司 2016-12-21 CN disclosed
CN-103463679-A Hernia mesh plug prepared from modified polypropylence fiber single silk mesh JIANGSU SEMPOLL PHARMACEUTICAL CO LTD 2013-12-25 CN disclosed
CN-101331163-B Olefin block copolymers catalyzed by polymerizable shuttling agents DOW GLOBAL TECHNOLOGIES INC 2011-03-23 CN disclosed
CN-101331163-A Olefin block copolymers catalyzed by polymerizable shuttling agents DOW GLOBAL TECHNOLOGIES INC (US) 2008-12-24 CN disclosed
US-20050163827-A1 Transdermal therapeutic delivery system ZECH HERBERT (AT) 2005-07-28 US disclosed