SCHEMBL310237

SCHEMBL310237

C=C(C)C(=O)NC(CCC)S(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.44
HDAC7 Q8WUI4 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC9 Q9UKV0 2/20 0.34
HDAC5 Q9UQL6 2/20 0.34
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP3A4 P08684 2/20 0.32
TSHR P16473 2/20 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
SCHEMBL5013368 0.86 TGFBR1 (0.49) TGFBR1
SCHEMBL182014 0.85 TGFBR1 (0.47) TGFBR1
SCHEMBL6663169 0.84 HDAC7 (0.33) HDAC7HDAC8HDAC6HDAC9HDAC5
SCHEMBL14344054 0.84 HDAC7 (0.33) HDAC7HDAC8HDAC6HDAC9HDAC5
SCHEMBL11695544 0.84 SMN1; SMN2 (0.38) TGFBR1ALDH1A1
SCHEMBL3834770 0.80 HDAC7 (0.31) HDAC7HDAC8HDAC6HDAC9HDAC5
Methacrylic Acid SCHEMBL4180206 0.78 TSHR (0.37) TGFBR1HDAC1HDAC2CHRM1AKR1A1
SCHEMBL232367 0.77
SCHEMBL20503405 0.76 TGFBR1 (0.42) TGFBR1
SCHEMBL14937691 0.76 TGFBR1 (0.42) 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 357 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1346957-B1 MULTIFONCTIONAL CALCIUM CARBONATE AND CALCIUM PHOSPATE SCALE INHIBITOR AKZO NOBEL CHEMICALS INT BV (NL) 2018-08-08 EP claimed
US-9976000-B2 Aqueous gel NATIONAL UNIVERSITY CORP. HOKKAIDO UNIVERSITY (JP) 2018-05-22 US claimed
EP-2351801-A1 Aqueous dispersion paints containing lactic acid esters used as film binders Clariant International Ltd. (CH) 2011-08-03 EP claimed
US-7534367-B2 Stable oxidizer composition for use in formulations TRUOX, INC. (US) 2009-05-19 US claimed
US-7255797-B2 Composition including potassium monopersulfate and a halogen TRUOX, INC. (US) 2007-08-14 US claimed
US-7087189-B2 Multifunctional calcium carbonate and calcium phosphate scale inhibitor NATIONAL STARCH CHEMICAL INVESTMENT HOLDING CO (US) 2006-08-08 US claimed
US-20050288202-A1 Stable oxidizer composition for use in formulations TRUOX, INC. 2005-12-29 US claimed
WO-2005019111-A2 A COMPOSITION INCLUDING POTASSIUM MONOPERSULFATE AND A HALOGEN MATERIALS TECHNOLOGY LABORATORIES, INC. (US) 2005-03-03 WO claimed
US-20050035065-A1 Composition including potassium monopersulfate and a halogen TRUOX, INC. 2005-02-17 US claimed
US-20050035066-A1 Combining a solvent-activated reactor and a halogen for enhanced oxidation TRUOX, INC. 2005-02-17 US claimed
EP-1040145-A1 METHOD FOR GRAFTING LIGNIN, POLYMERIZATES PRODUCED ACCORDING TO THE METHOD AND THE UTILIZATION THEREOF STOCKHAUSEN GmbH & CO. KG (DE) 2000-10-04 EP claimed
WO-2000042085-A1 COPOLYMERS OR GRAFT POLYMERS OF PHENOLS, METHOD FOR THEIR PRODUCTION AND THEIR USE STOCKHAUSEN GMBH & CO. KG (DE) 2000-07-20 WO claimed
EP-0775165-B1 DADMAC/VINYL TRIALKOXYSILANE COPOLYMERS AND THEIR USE IN WASTEWATER TREATMENT NALCO CHEMICAL CO (US) 2000-01-05 EP claimed
WO-1999031155-A1 METHOD FOR GRAFTING LIGNIN, POLYMERIZATES PRODUCED ACCORDING TO THE METHOD AND THE UTILIZATION THEREOF STOCKHAUSEN GMBH & CO. KG (DE) 1999-06-24 WO claimed
EP-0654449-B1 Silica scale inhibition ROHM & HAAS (US) 1998-12-30 EP claimed
EP-0775165-A1 DADMAC/VINYL TRIALKOXYSILANE COPOLYMERS AND THEIR USE IN WASTEWATER TREATMENT NALCO CHEMICAL COMPANY (US) 1997-05-28 EP claimed
WO-1996035731-A1 DADMAC/VINYL TRIALKOXYSILANE COPOLYMERS AND THEIR USE IN WASTEWATER TREATMENT NALCO CHEMICAL COMPANY (DE) 1996-11-14 WO claimed
EP-0654449-A1 Silica scale inhibition ROHM AND HAAS COMPANY (US) 1995-05-24 EP claimed
EP-0459661-A1 Silica scale inhibition ROHM AND HAAS COMPANY (US) 1991-12-04 EP claimed
EP-0446469-A1 Flame retardant polyacrylnitrile-(Co)-polymers containing phosphorus - containing derivatives of phenols BAYER AG (DE) 1991-09-18 EP claimed