SCHEMBL583477

SCHEMBL583477

OCCCCCCOc1ccccc1-c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.63
MEN1 O00255 2/20 0.63
LMNA P02545 4/20 0.61
POLB P06746 2/20 0.61
TP53 P04637 2/20 0.61
MAPK1 P28482 1/20 0.61
RAB9A P51151 1/20 0.61
KDM4E B2RXH2 8/20 0.59
HTR7 P34969 1/20 0.57
HTT P42858 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
ALDH1A1 P00352 5/20 0.55
ADRB2 P07550 2/20 0.54
GAA P10253 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL582556 1.00 KMT2A (0.63) KMT2AMEN1LMNAPOLBTP53
SCHEMBL28666392 1.00 KMT2A (0.63) KMT2AMEN1LMNAPOLBTP53
SCHEMBL2838771 0.98 KMT2A (0.65) KMT2AMEN1LMNAPOLBTP53
SCHEMBL6508053 0.92 MEN1 (0.67) KMT2AMEN1LMNAPOLBTP53
SCHEMBL13739614 0.92 TP53 (0.69) KMT2AMEN1LMNAPOLBTP53
SCHEMBL1938293 0.90 MEN1 (0.51) KMT2AMEN1LMNAPOLBTP53
SCHEMBL15522001 0.90 TP53 (0.71) KMT2AMEN1LMNAPOLBTP53
SCHEMBL29418129 0.88 TP53 (0.69) KMT2AMEN1LMNAPOLBTP53
SCHEMBL159005 0.88 TP53 (0.69) KMT2AMEN1LMNAPOLBTP53
SCHEMBL9778200 0.86 KMT2A (0.50) KMT2AMEN1LMNAPOLBTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116496465-A Liquid crystal poly (carbamate-thiourethane) elastomer and preparation method and application thereof 中国科学院兰州化学物理研究所 2023-07-28 CN claimed
CN-112551672-B Heavy metal remover and preparation method thereof 神美科技有限公司 2022-10-25 CN claimed
CN-112551672-A Heavy metal remover and preparation method thereof 神美科技有限公司 2021-03-26 CN claimed
CN-102786659-B Preparation method and application of chirality azo polyurethane thermal-optic material UNIV JIANGSU 2014-05-28 CN claimed
CN-103044672-A Preparation method of thermotropic polyester liquid crystal for toughening epoxy resin UNIV GUILIN TECH GUT 2013-04-17 CN claimed
CN-102786659-A Preparation method and application of chirality azo polyurethane thermal-optic material UNIV JIANGSU 2012-11-21 CN claimed
CN-102153735-A Method for preparing biphenyl thermotropic polyester liquid crystals UNIV GUILIN TECH GUT 2011-08-17 CN claimed
CN-116496465-A Liquid crystal poly (carbamate-thiourethane) elastomer and preparation method and application thereof 中国科学院兰州化学物理研究所 2023-07-28 CN disclosed
CN-116444978-A Polyurethane rigid foam composition and preparation method and application thereof 万华化学集团股份有限公司 2023-07-18 CN disclosed
CN-112551672-B Heavy metal remover and preparation method thereof 神美科技有限公司 2022-10-25 CN disclosed
CN-111379045-B Elasticity-controllable spandex and preparation method thereof 中原工学院 2022-07-26 CN disclosed
CN-112551672-A Heavy metal remover and preparation method thereof 神美科技有限公司 2021-03-26 CN disclosed
CN-111379045-A Elasticity-controllable spandex and preparation method thereof 中原工学院 2020-07-07 CN disclosed
US-20040013337-A1 Waveplate and optical circuit formed from mesogen-containing polymer NEOPHOTONICS CORPORATION 2004-01-22 US disclosed
WO-2003034102-A2 WAVEPLATE AND OPTICAL CIRCUIT FORMED FROM MESOGEN-CONTAINING POLYMER LIGHTWAVE MICROSYSTEMS CORPORATION (US) 2003-04-24 WO disclosed
CN-1077580-C Diaminobenzene derivatives and polyimides prepared therefrom NISSAN CHEMICAL IND LTD (JP) 2002-01-09 CN disclosed
US-5177108-A Aryloxy alkanols as anti-retrovirus agents MERRELL DOW PHARMACEUTICALS INC. (US) 1993-01-05 US disclosed
US-5077315-A Treatment of HIV virus MERRELL DOW PHARMACEUTICALS (US) 1991-12-31 US disclosed
US-4939173-A Aryloxy alkanols as anti-retrovirus agents MERRELL DOW PHARMACEUTICALS INC. (US) 1990-07-03 US disclosed
EP-0373587-A2 Aryloxy alkanols as anti-retrovirus agents MERRELL DOW PHARMACEUTICALS INC. (US) 1990-06-20 EP disclosed