SCHEMBL7028822

SCHEMBL7028822

O=C(O)C=C(C(=O)O)c1cccc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.59
CYP3A4 P08684 2/20 0.59
CYP2D6 P10635 2/20 0.59
CYP2C9 P11712 2/20 0.59
CYP2C19 P33261 2/20 0.59
NR4A1 P22736 1/20 0.58
NR4A2 P43354 1/20 0.58
NR4A3 Q92570 1/20 0.58
CDC25B P30305 1/20 0.51
AKR1C2 P52895 1/20 0.51
MMP3 P08254 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
KDM4E B2RXH2 2/20 0.48
PTPN1 P18031 1/20 0.47
PLK1 P53350 1/20 0.47
KMT2A Q03164 3/20 0.47
GPR52 Q9Y2T5 1/20 0.44
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.43

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
SCHEMBL11551904 1.00 CYP1A2 (0.59) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
Ethylene SCHEMBL28650847 0.97 CYP1A2 (0.56) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL27657951 0.86 KMT2A (0.58) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL30507856 0.84 CYP1A2 (0.60) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL11149500 0.84 CYP1A2 (0.60) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL11149495 0.84 CYP1A2 (0.60) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL11127306 0.84 CYP1A2 (0.60) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL11127311 0.84 CYP1A2 (0.60) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL23929228 0.82 CYP1A2 (0.52) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL11257067 0.82 CYP1A2 (0.59) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6634399-B1 Tire with PEN reinforcement THE GOODYEAR TIRE & RUBBER COMPANY 2003-10-21 US claimed
EP-1113937-B1 TIRES WITH PEN REINFORCEMENT GOODYEAR TIRE & RUBBER (US) 2003-02-12 EP claimed
JP-2002524345-A 2002-08-06 JP claimed
EP-1113937-A1 TIRES WITH PEN REINFORCEMENT The Goodyear Tire & Rubber Company (US) 2001-07-11 EP claimed
WO-2000015449-A1 TIRES WITH PEN REINFORCEMENT THE GOODYEAR TIRE & RUBBER COMPANY (US) 2000-03-23 WO claimed
EP-3717579-B1 AQUEOUS ELECTRON BEAM CURABLE COMPOSITIONS COMPRISING POLY(ALKOXYLATES) SUN CHEMICAL CORP (US) 2022-01-26 EP disclosed
CN-108473501-B Therapeutic compounds, compositions and methods of use thereof 豪夫迈·罗氏有限公司 2021-07-16 CN disclosed
EP-3717579-A1 AQUEOUS ELECTRON BEAM CURABLE COMPOSITIONS COMPRISING POLY(ALKOXYLATES) Sun Chemical Corporation (US) 2020-10-07 EP disclosed
WO-2020012158-A1 AQUEOUS ELECTRON BEAM CURABLE COMPOSITIONS COMPRISING POLY(ALKOXYLATES) SUN CHEMICAL CORPORATION (US) 2020-01-16 WO disclosed
CN-106062087-B Pigment complex including synergist and polymer coating 卡博特公司 2019-03-12 CN disclosed
CN-108976906-A A kind of preparation method of the black water base writing ink of purple food-grade 太原理工大学 2018-12-11 CN disclosed
CN-105658743-B Include the printing ink composition of the surfactant with limited solubility 卡博特公司 2018-08-17 CN disclosed
CN-106062087-A Pigment composites comprising synergists and polymer coatings 卡博特公司 2016-10-26 CN disclosed
EP-2841511-A1 INKJET INK Hewlett-Packard Development Company, L.P. (US) 2015-03-04 EP disclosed
WO-2013162513-A1 INKJET INK HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2013-10-31 WO disclosed
US-6634399-B1 Tire with PEN reinforcement THE GOODYEAR TIRE & RUBBER COMPANY 2003-10-21 US disclosed
EP-1113937-B1 TIRES WITH PEN REINFORCEMENT GOODYEAR TIRE & RUBBER (US) 2003-02-12 EP disclosed
EP-1113937-A1 TIRES WITH PEN REINFORCEMENT The Goodyear Tire & Rubber Company (US) 2001-07-11 EP disclosed
WO-2000015449-A1 TIRES WITH PEN REINFORCEMENT THE GOODYEAR TIRE & RUBBER COMPANY (US) 2000-03-23 WO disclosed
US-4171369-A ANALGESICS, ANTIDEPRESSANTS SANDOZ LTD. (CH) 1979-10-16 US disclosed