SCHEMBL5826246

SCHEMBL5826246

O=C(O)C1=C(C2=CCCCCC2)CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 2/20 0.45
FFAR4 Q5NUL3 1/20 0.40
HDAC2 Q92769 3/20 0.36
HDAC4 P56524 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
ELANE P08246 1/20 0.35
ATR Q13535 1/20 0.35
CLCN2 P51788 1/20 0.35
TBK1 Q9UHD2 3/20 0.33
HDAC1 Q13547 2/20 0.33
TYMP P19971 1/20 0.33
IKBKE Q14164 1/20 0.33
SERPINE1 P05121 1/20 0.33
CXCR5 P32302 1/20 0.33
HDAC3 O15379 1/20 0.33
HCAR2 Q8TDS4 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
SCHEMBL8422501 1.00 ACMSD (0.45) ACMSDFFAR4HDAC2HDAC4HDAC8
Hydrochloric Acid SCHEMBL11054643 0.98 ACMSD (0.44) ACMSDFFAR4HDAC2HDAC4HDAC8
SCHEMBL10623280 0.85 ACMSD (0.36) ACMSDFFAR4HDAC2HDAC4HDAC8
SCHEMBL8419436 0.84 SLC6A3 (0.39) ACMSDFFAR4HDAC2HDAC4HDAC8
SCHEMBL2935848 0.82 ACMSD (0.35) ACMSDFFAR4HDAC2HDAC4HDAC8
Bicarbonate SCHEMBL10441915 0.79 ACMSD (0.49) ACMSDFFAR4HDAC2HDAC4HDAC8
Bicarbonate SCHEMBL10962051 0.79 ACMSD (0.49) ACMSDFFAR4HDAC2HDAC4HDAC8
Bicarbonate SCHEMBL2907611 0.79 ACMSD (0.49) ACMSDFFAR4HDAC2HDAC4HDAC8
SCHEMBL11763744 0.78 FFAR4 (0.31) ACMSDFFAR4
SCHEMBL11420792 0.77 ACMSD (0.38) ACMSDFFAR4ATRCLCN2CXCR5

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001044377-A1 COATING COMPOSITION AND NOVEL THIOL INCLUDED THEREIN PERSTORP SPECIALTY CHEMICALS AB (SE) 2001-06-21 WO claimed
JP-1113351-A None JP disclosed
JP-2006293380-A CHEMICAL AMPLIFICATION TYPE RESIST MATERIAL SHIN ETSU CHEM CO LTD 2006-10-26 JP disclosed
WO-2001044377-A1 COATING COMPOSITION AND NOVEL THIOL INCLUDED THEREIN PERSTORP SPECIALTY CHEMICALS AB (SE) 2001-06-21 WO disclosed
EP-0373915-B1 NOVEL THROMBOXANE A2 ANTAGONISTS BTG INTERNATIONAL LIMITED (GB) 1993-08-18 EP disclosed
US-5141937-A Treatment of hyperlipidemias HOECHST AKTIENGESELLSCHAFT (DE) 1992-08-25 US disclosed
US-5106870-A Antiinflammatory agents, antianaphylactic agents NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1992-04-21 US disclosed
US-5075456-A Monomers for acrylic esters; photoresists, prepregs CIBA-GEIGY CORPORATION (US) 1991-12-24 US disclosed
US-5055582-A Process for preparing thromboxane A2 antagonists NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1991-10-08 US disclosed
US-4992581-A From perhydroketo-4,7-methanoindene NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1991-02-12 US disclosed
US-4942256-A 7-(3-ALPHA-(1-(((PHENYLAMINO)-THIOXOMETHYL)HYDRAZINO)ETHYL)-BI CYCLO(2.2.1)HEPTENOIC ACIDS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1990-07-17 US disclosed
WO-1990006917-A1 NOVEL THROMBOXANE A2 ANTAGONISTS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1990-06-28 WO disclosed
EP-0373915-A1 Novel thromboxane A2 antagonists BTG INTERNATIONAL LIMITED (GB) 1990-06-20 EP disclosed
JP-H01113351-A 7-DIPHENYLMETHYLENE BICYCLOHEPTANE OR 7-DIPHENYLMETHYLENE BICYCLOHEPTENE DERIVATIVE HOECHST AG 1989-05-02 JP disclosed
US-4206291-A HALOGENATED BICYCLOHEPTENE DICARBOXYLIC ACID, IMPACT STRENGTH MODIFIER HOOKER CHEMICALS & PLASTICS CORP. (US) 1980-06-03 US disclosed
US-4206291-A HALOGENATED BICYCLOHEPTENE DICARBOXYLIC ACID, IMPACT STRENGTH MODIFIER HOOKER CHEMICALS & PLASTICS CORP. (US) 1980-06-03 US disclosed
US-4155951-A MOLDING MATERIALS HOOKER CHEMICALS & PLASTICS CORP. (US) 1979-05-22 US disclosed
US-4155951-A MOLDING MATERIALS HOOKER CHEMICALS & PLASTICS CORP. (US) 1979-05-22 US disclosed
US-3956422-A MOLDING MATERIALS HOOKER CHEMICALS & PLASTICS CORPORATION (US) 1976-05-11 US disclosed
US-3956422-A MOLDING MATERIALS HOOKER CHEMICALS & PLASTICS CORPORATION (US) 1976-05-11 US disclosed