SCHEMBL7860191

SCHEMBL7860191

C=C(C)C(=O)NC(C)(C)CC(=O)[O-].[Na+]

nearest known ligand 0.34

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CA4 known ✓ P22748 2/20 0.34
TGFBR1 P36897 1/20 0.32

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
SCHEMBL730664 0.82 TGFBR1 (0.34) TGFBR1
SCHEMBL472259 0.80 HMGCR (0.39) TGFBR1
SCHEMBL9805999 0.75 EPHX1 (0.40) TGFBR1
SCHEMBL21612680 0.75 TGFBR1 (0.35) TGFBR1
SCHEMBL7611640 0.75 TGFBR1 (0.39) TGFBR1
SCHEMBL719408 0.74 ALDH1A1 (0.49) CA4
SCHEMBL3662136 0.74 POLB (0.44) TGFBR1
SCHEMBL491400 0.74 TDP1 (0.35) TGFBR1
SCHEMBL147076 0.74 POLB (0.43) TGFBR1
SCHEMBL6232119 0.72 ALDH1A1 (0.52) TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0868412-B1 COMPOSITION FOR PRODUCING LIGHT PLASTER AND ITS USE HENKEL KGAA (DE) 2001-09-05 EP disclosed
US-6162839-A Composition for producing light plaster, production of the foaming agent used therefor and its use HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2000-12-19 US disclosed
EP-0868412-A1 COMPOSITION FOR PRODUCING LIGHT PLASTER, PRODUCTION OF THE FOAMING AGENT USED THEREFOR AND ITS USE Henkel Kommanditgesellschaft auf Aktien (DE) 1998-10-07 EP disclosed
WO-1997022567-A1 COMPOSITION FOR PRODUCING LIGHT PLASTER, PRODUCTION OF THE FOAMING AGENT USED THEREFOR AND ITS USE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1997-06-26 WO disclosed