SCHEMBL6986070

SCHEMBL6986070

[CH2]c1cc(OCC)ccc1OCC

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.52
KDM4E B2RXH2 1/20 0.47
TSHR P16473 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
KMT2A Q03164 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
EPHX1 P07099 1/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 1/20 0.42
ESR2 Q92731 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HPGD P15428 1/20 0.42
LTA4H P09960 1/20 0.41

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
SCHEMBL10986437 0.88 NQO1 (0.48) NQO1KDM4ETSHRKMT2AALDH1A1
SCHEMBL10986380 0.88 CA12 (0.47) NQO1KDM4ETSHRMEN1KMT2A
SCHEMBL16955556 0.83 NQO1 (0.43) NQO1KDM4ETSHRTDP1MEN1
SCHEMBL6799758 0.83 NQO1 (0.52) NQO1KDM4ETSHRTDP1MEN1
SCHEMBL16962794 0.82 KMT2A (0.43) NQO1KDM4ETSHRTDP1MEN1
SCHEMBL16953615 0.82 S1PR1 (0.43) NQO1MAPT
SCHEMBL16951200 0.82 L3MBTL1 (0.43) NQO1KDM4ETSHRTDP1MEN1
SCHEMBL29657372 0.80 NQO1 (0.59) NQO1KDM4ETSHRTDP1MEN1
SCHEMBL2498271 0.80 NQO1 (0.59) NQO1KDM4ETSHRTDP1MEN1
SCHEMBL16951722 0.79 MAPT (0.47) KDM4ETSHRTDP1MEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106349027-B A kind of preparation method of high-order column aromatic hydrocarbons 浙江大学 2019-03-26 CN claimed
CN-106349027-A Preparation method of high-order column aromatic hydrocarbon 浙江大学 2017-01-25 CN claimed
CN-106349027-B A kind of preparation method of high-order column aromatic hydrocarbons 浙江大学 2019-03-26 CN disclosed
CN-106349027-A Preparation method of high-order column aromatic hydrocarbon 浙江大学 2017-01-25 CN disclosed
EP-0985671-B1 PYRIDOCARBAZOLE DERIVATIVES HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARM CO LTD (JP) 2003-04-02 EP disclosed
US-6476021-B1 Compounds having cGMP-PDE inhibitory effect MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-11-05 US disclosed
EP-0638075-B1 THIAZOLE OR IMIDAZOLE DERIVATIVES AS MAILLARD REACTION INHIBITORS OTSUKA PHARMA CO LTD (JP) 2002-01-16 EP disclosed
CN-1309561-A Therapeutic agent for erectile dysfunction MOCHIDA PHARM CO LTD (JP) 2001-08-22 CN disclosed
US-6197768-B1 THERAPY, PREVENTION ISCHEMIC HEART DISEASE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2001-03-06 US disclosed
CN-1284075-A Novel compounds having CGMP-PDE inhibitory effect MOCHIDA PHARM CO LTD (JP) 2001-02-14 CN disclosed
EP-1048666-A1 NOVEL COMPOUNDS HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 EP disclosed
EP-0437186-B1 Melamine derivatives as stabilizers for chlorine containing polymers CIBA GEIGY AG (CH) 1995-12-06 EP disclosed
EP-0638075-A1 THIAZOLE OR IMIDAZOLE DERIVATIVES AS MAILLARD REACTION INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-02-15 EP disclosed
WO-1994019335-A1 THIAZOLE OR IMIDAZOLE DERIVATIVES AS MAILLARD REACTION INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-09-01 WO disclosed
EP-0365483-B1 Mercaptobenzoic-acid esters used as stabilizers for chlorine-containing polymers CIBA GEIGY AG (CH) 1993-12-29 EP disclosed
US-5272192-A Melamine derivatives as stabilizers for chloride-containing polymers CIBA-GEIGY CORPORATION (US) 1993-12-21 US disclosed
EP-0437186-A1 Melamine derivatives as stabilizers for chlorine containing polymers CIBA-GEIGY AG (CH) 1991-07-17 EP disclosed
US-5030671-A Metal carboxylate and/or phenolate mixture CIBA-GEIGY CORPORATION (US) 1991-07-09 US disclosed
EP-0365483-A1 Mercaptobenzoic-acid esters used as stabilizers for chlorine-containing polymers CIBA-GEIGY AG (CH) 1990-04-25 EP disclosed
US-4497815-A 1-(N-Substituted carbamoyl)-5-fluorouracil derivatives and the carcinostatic agents containing same as active ingredients Ozaki, Shoichiro (JP) 1985-02-05 US disclosed