SCHEMBL2802826

SCHEMBL2802826

CCCCC(CC)Cc1ccccc1C(=O)OO

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.58
▸ CYP3A4 P08684 4/20 0.58
▸ CA2 P00918 1/20 0.58
▸ LMNA P02545 6/20 0.53
▸ PRSS1 P07477 1/20 0.52
▸ PRSS2 P07478 1/20 0.52
▸ PRSS3 P35030 1/20 0.52
▸ TSHR P16473 6/20 0.43
▸ MAPK1 P28482 3/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ TP53 P04637 1/20 0.41
▸ HSD17B10 Q99714 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ RECQL P46063 1/20 0.40
▸ NR1I2 O75469 1/20 0.40

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
SCHEMBL2831667 0.85 ALDH1A1 (0.54) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL31073993 0.84 ALDH1A1 (0.55) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL131266 0.84 ALDH1A1 (0.55) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL226041 0.81 ALDH1A1 (0.67) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL30405946 0.81 ALDH1A1 (0.51) ALDH1A1CYP3A4CA2LMNAPRSS1
Bicarbonate SCHEMBL17800242 0.81 ALDH1A1 (0.53) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL17292647 0.80 ALDH1A1 (0.50) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL6011997 0.80 LMNA (0.62) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL153633 0.78 ALDH1A1 (0.47) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL29385746 0.78 ALDH1A1 (0.47) ALDH1A1CYP3A4CA2LMNAPRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200332138-A1 Ink Jet Printing Ink Composition And Ink Jet Printing Method SEIKO EPSON CORPORATION (JP) 2020-10-22 — — US disclosed
EP-1746136-B1 BIODEGRADABLE RESIN COMPOSITION KAO CORP (JP) 2015-04-22 — — EP disclosed
US-20140109924-A1 ARTIFICIAL HAIR FIBER AND HAIRPIECE PRODUCT DENKI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2014-04-24 — — US disclosed
US-7652085-B2 Heat treating a mixture of preferably polylactic acid, polyethylene glycol, glycerin triacetate as a plasticizer, and (hexam)ethylenebis-(12-hydroxystearamide) as a crystal nucleating agent; improved heat resistance and biodegradability KAO CORPORATION (JP) 2010-01-26 — — US disclosed
US-20080262150-A1 Biodegradable Resin Composition KAO CORPORATION (JP) 2008-10-23 — — US disclosed
EP-1746136-A1 BIODEGRADABLE RESIN COMPOSITION Kao Corporation (JP) 2007-01-24 — — EP disclosed
US-4320139-A Method of enhancing the activity of fast evaporating insecticides FUMAKILLA LIMITED (JP) 1982-03-16 — — US disclosed
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