SCHEMBL2551378

SCHEMBL2551378

C=C(CC)C(=O)ONCCCC

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.37
EPHX1 P07099 3/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 2/20 0.35
CNR2 P34972 2/20 0.34
MMP2 P08253 1/20 0.33
CNR1 P21554 1/20 0.33
CA12 O43570 1/20 0.33
CA14 Q9ULX7 1/20 0.33

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
SCHEMBL27620783 0.83 ACHE (0.45) ACHEEPHX1ALOX15CNR2MMP2
SCHEMBL4609619 0.82 TSHR (0.48) ACHEEPHX1ALOX15TSHRCNR2
SCHEMBL28507521 0.81 TSHR (0.47) ACHEEPHX1ALOX15TSHRCNR2
SCHEMBL11519963 0.80 CNR2 (0.44) EPHX1ALOX15TSHRCNR2
SCHEMBL29163850 0.79 ALDH1A1 (0.32)
SCHEMBL27620785 0.78 ALOX15 (0.48) ACHEEPHX1ALOX15CNR2MMP2
SCHEMBL2749483 0.77 EPHX1 (0.48) EPHX1TSHRCNR2CNR1
SCHEMBL8154331 0.77 TSHR (0.52) EPHX1TSHRCNR2CNR1
Trimethylammonium SCHEMBL27807076 0.77 TSHR (0.43) ACHEEPHX1ALOX15TSHRCNR2
SCHEMBL10950900 0.77 CNR2 (0.44) ALOX15TSHRCNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0859796-A1 AQUEOUS COMPOSITIONS THICKENED WITH ACRYLATE-BASED POLYMERIC RHEOLOGY MODIFIERS NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 1998-08-26 EP claimed
WO-1998006757-A1 AQUEOUS COMPOSITIONS THICKENED WITH ACRYLATE-BASED POLYMERIC RHEOLOGY MODIFIERS NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 1998-02-19 WO claimed
EP-2552981-A1 PROTEIN-ACRYLATE COPOLYMER AND HAIR CONDITIONING PRODUCT COMPRISING SAID POLYMER Croda International PLC (GB) 2013-02-06 EP disclosed
WO-2011121279-A1 PROTEIN-ACRYLATE COPOLYMER AND HAIR CONDITIONING PRODUCT COMPRISING SAID POLYMER CRODA INTERNATIONAL PLC (GB) 2011-10-06 WO disclosed
EP-1267802-A2 LEAVE-IN HAIR COSMETIC COMPOSITIONS FOR ENHANCING VOLUME CONTAINING MICROSPHERES THE PROCTER & GAMBLE COMPANY (US) 2003-01-02 EP disclosed
WO-2001074310-A2 LEAVE-IN HAIR COSMETIC COMPOSITIONS FOR ENHANCING VOLUME CONTAINING MICROSPHERES THE PROCTER & GAMBLE COMPANY (US) 2001-10-11 WO disclosed
EP-0859796-A1 AQUEOUS COMPOSITIONS THICKENED WITH ACRYLATE-BASED POLYMERIC RHEOLOGY MODIFIERS NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 1998-08-26 EP disclosed
WO-1998006757-A1 AQUEOUS COMPOSITIONS THICKENED WITH ACRYLATE-BASED POLYMERIC RHEOLOGY MODIFIERS NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 1998-02-19 WO disclosed
EP-0398576-A2 Multi-stage polymer particle having a hydrophobically-modified ionically soluble stage ROHM AND HAAS COMPANY (US) 1990-11-22 EP disclosed
US-4177179-A ACRYLIC COPOLYMER AND EPOXY COMPOUND TOYO SODA MANUFACTURING CO., LTD. (JP) 1979-12-04 US disclosed