SCHEMBL13328580

SCHEMBL13328580

CC(=O)CC(C)(C)NC(C)=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.34
PKM P14618 2/20 0.33
KDM4E B2RXH2 2/20 0.33
THRB P10828 1/20 0.32
ALDH1A1 P00352 3/20 0.32
TDP1 Q9NUW8 1/20 0.32
ACACB O00763 1/20 0.32
CA2 P00918 1/20 0.32
PTGS1 P23219 1/20 0.32
MMP12 P39900 1/20 0.32
HTT P42858 2/20 0.31
PIK3CD O00329 1/20 0.31
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31

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
SCHEMBL3371858 0.82 ADRA1A (0.46) EPHX1PKMKDM4ETHRBALDH1A1
SCHEMBL5568298 0.82 HMGCR (0.35) KDM4EALDH1A1TDP1PIK3CDHMGCR
SCHEMBL26498848 0.80
SCHEMBL16471907 0.80 ALDH1A1 (0.34) ALDH1A1
SCHEMBL21335158 0.80 L3MBTL1 (0.33) PKM
SCHEMBL24920428 0.79 EPHX1 (0.34) EPHX1PKMKDM4ETHRBALDH1A1
SCHEMBL21158613 0.78 SMN1; SMN2 (0.39) KDM4EALDH1A1CA2HTTPIK3CD
SCHEMBL23131733 0.78 EPHX1 (0.32) EPHX1
SCHEMBL19019335 0.78 ALDH1A1 (0.41) KDM4EALDH1A1TDP1PIK3CDSMN1; SMN2
SCHEMBL12697065 0.78 POLB (0.38) EPHX1PKMKDM4ETHRBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018173-B1 High physical durability coating compositions SWIMC LLC (US) 2024-06-25 US disclosed
US-20230327121-A1 BINDER, POSITIVE ELECTRODE PLATE AND BATTERY ZHUHAI COSMX BATTERY CO., LTD. (CN) 2023-10-12 US disclosed
US-20230220166-A1 IN SITU GELLING ZWITTERIONIC HYDROGEL COMPOSITIONS, AND METHODS OF USE THEREOF MCMASTER UNIVERSITY (CA) 2023-07-13 US disclosed
WO-2021055865-A1 SELECTIVE DRUG RELEASE FROM INTERNALIZED CONJUGATES OF BIOLOGICALLY ACTIVE COMPOUNDS SEAGEN INC. (US) 2021-03-25 WO disclosed
WO-2019164987-A1 HYDROPHOBIC AURISTATIN F COMPOUNDS AND CONJUGATES THEREOF SEATTLE GENETICS, INC. (US) 2019-08-29 WO disclosed
US-9598589-B2 Inkjet ink, ink cartridge containing the inkjet ink, inkjet recording method using the inkjet ink, inkjet recording apparatus using the ink cartridge, and print formed by the inkjet ink RICOH COMPANY, LTD. (JP) 2017-03-21 US disclosed
US-9598589-B2 Inkjet ink, ink cartridge containing the inkjet ink, inkjet recording method using the inkjet ink, inkjet recording apparatus using the ink cartridge, and print formed by the inkjet ink RICOH COMPANY, LTD. (JP) 2017-03-21 US disclosed
US-20150315389-A1 ANTIMICROBIAL SURFACE COATINGS OXISCIENCE WA, LLC 2015-11-05 US disclosed
US-8919945-B2 Inkjet ink, pigment dispersion, image forming method, inkjet recording apparatus, ink cartridge, and print RICOH COMPANY, LTD. (JP) 2014-12-30 US disclosed
US-20140077486-A1 INKJET INK, INK CARTRIDGE CONTAINING THE INKJET INK, INKJET RECORDING METHOD USING THE INKJET INK, INKJET RECORDING APPARATUS USING THE INK CARTRIDGE, AND PRINT FORMED BY THE INKJET INK RICOH COMPANY, LTD. (JP) 2014-03-20 US disclosed
EP-2505622-B1 Ink composition and image forming method FUJIFILM CORP (JP) 2014-01-29 EP disclosed
US-8420298-B2 Method for production of crosslinked polyvinyl acetal resin, and crosslinked polyvinyl acetal resin SEKISUI CHEMICAL CO., LTD. (JP) 2013-04-16 US disclosed
US-20120262518-A1 INKJET INK, PIGMENT DISPERSION, IMAGE FORMING METHOD, INKJET RECORDING APPARATUS, INK CARTRIDGE, AND PRINT RICOH COMPANY, LTD. (JP) 2012-10-18 US disclosed
US-20100112480-A1 METHOD FOR PRODUCTION OF CROSSLINKED POLYVINYL ACETAL RESIN, AND CROSSLINKED POLYVINYL ACETAL RESIN SEKISUI CHEMICAL CO., LTD. (JP) 2010-05-06 US disclosed