SCHEMBL4454882

SCHEMBL4454882

O=c1c2c(oc3ccccc13)C=CCC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.50
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP3A4 P08684 2/20 0.50
GLA P06280 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
PGAM1 P18669 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
DDR2 Q16832 1/20 0.38
CA12 O43570 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL450881 0.86 KDM4E (0.38) MAOAKDM4EALDH1A1CYP3A4GLA
SCHEMBL19474584 0.78 ELANE (0.38) MAOAKDM4EALDH1A1CYP3A4GLA
SCHEMBL24403643 0.77 MAOA (0.37) MAOAKDM4EALDH1A1CYP3A4GLA
SCHEMBL28390501 0.77 MAOA (0.50) MAOAKDM4EALDH1A1CYP3A4GLA
SCHEMBL12811178 0.76 AHR (0.44) MAOAKDM4EALDH1A1CYP3A4GLA
SCHEMBL14311967 0.75 KDM4E (0.32) MAOAKDM4EALDH1A1CYP3A4GLA
SCHEMBL27639558 0.74 MAOA (0.47) MAOAKDM4EALDH1A1CYP3A4GLA
SCHEMBL23626413 0.74 L3MBTL1 (0.41) KDM4EALDH1A1CYP3A4GLAMAPT
SCHEMBL30064082 0.73 MAOA (0.50) MAOAKDM4EALDH1A1CYP3A4GLA
SCHEMBL18789367 0.72 PRKDC (0.35) MAOACA2

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4367170-A Stabilized photochromic materials AMERICAN OPTICAL CORPORATION (US) 1983-01-04 US claimed
US-4166043-A Stabilized photochromic materials AMERICAN OPTICAL CORPORATION (US) 1979-08-28 US claimed
US-11007813-B2 Integrated highlighting and shading marker system CRAYOLA LLC (US) 2021-05-18 US disclosed
CN-112390871-A In vivo production of proteins 现代泰克斯公司 2021-02-23 CN disclosed
CN-106715408-B Use of isomerically pure or highly isomerically enriched cis-or trans- (2-isobutyl-4-methyltetrahydropyran-4-yl) acetic acid esters 巴斯夫欧洲公司 2020-06-09 CN disclosed
US-20190329585-A1 INTEGRATED HIGHLIGHTING AND SHADING MARKER SYSTEM CRAYOLA LLC (US) 2019-10-31 US disclosed
EP-1843795-B8 STERILANT SYSTEM TRISTEL PLC (GB) 2009-04-01 EP disclosed
EP-1843795-A1 STERILANT SYSTEM Tristel PLC (GB) 2007-10-17 EP disclosed
WO-2006079822-A1 STERILANT SYSTEM TRISTEL PLC (GB) 2006-08-03 WO disclosed
CN-1703422-A Meth1 and meth2 polynucleotides and polypeptides HUMAN GENOME SCIENCES INC (US) 2005-11-30 CN disclosed
US-4992347-A Marking COURTAULDS PLC (GB) 1991-02-12 US disclosed
EP-0301057-A1 Forming a permanent image in a layer COURTAULDS PLC (GB) 1989-02-01 EP disclosed
WO-1988006306-A1 MARKING COURTAULDS PLC (GB) 1988-08-25 WO disclosed
EP-0279600-A1 Marking COURTAULDS PLC (GB) 1988-08-24 EP disclosed
US-4367170-A Stabilized photochromic materials AMERICAN OPTICAL CORPORATION (US) 1983-01-04 US disclosed
US-4166043-A Stabilized photochromic materials AMERICAN OPTICAL CORPORATION (US) 1979-08-28 US disclosed