SCHEMBL679687

SCHEMBL679687

CCCC(CCC)C(=O)OCC(COC(=O)C(CCC)CCC)OC(=O)C(CCC)CCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
CHRM1 P11229 2/20 0.43
CHRM3 P20309 2/20 0.43
ADRA1A P35348 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
AKR1A1 P14550 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HRH1 P35367 1/20 0.43
DRD3 P35462 1/20 0.43

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
SCHEMBL12499090 0.92 CA2 (0.44) HDAC1HDAC2HDAC7HDAC8HDAC6
SCHEMBL10791125 0.90 PRKCA (0.46) HDAC1HDAC2HDAC7HDAC8HDAC6
SCHEMBL11161603 0.89 HDAC1 (0.46) HDAC1HDAC2HDAC7HDAC8HDAC6
SCHEMBL10787330 0.88 TDP1 (0.40) HDAC1HDAC2HDAC7HDAC8HDAC6
SCHEMBL10787834 0.88 PRKCA (0.45) HDAC1HDAC2HDAC7HDAC8HDAC6
SCHEMBL10786520 0.85 ALDH1A1 (0.53) HDAC1HDAC2HDAC7HDAC8HDAC6
SCHEMBL19678473 0.85 ALDH1A1 (0.53) ALDH1A1LMNACA1CA2SMN1; SMN2
SCHEMBL7927514 0.85 ALDH1A1 (0.53) ALDH1A1LMNACA1CA2SMN1; SMN2
SCHEMBL30530210 0.85 ALDH1A1 (0.53) ALDH1A1LMNACA1CA2SMN1; SMN2
SCHEMBL2047105 0.85 ALDH1A1 (0.53) ALDH1A1LMNACA1CA2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023056948-A1 METHODS FOR TREATING SPINOCEREBELLAR ATAXIA TYPE 1 (SCA1) WITH VALPROATE (VPA) COMPOUNDS HANGZHOU JIJING PHARMACEUTICAL TECHNOLOGY LIMITED (CN) 2023-04-13 WO disclosed
WO-2023056606-A1 VALPROATE (VPA) COMPOUNDS FOR USE IN TREATING SPINOCEREBELLAR ATAXIA TYPE 1 (SCA1) HANGZHOU JIJING PHARMACEUTICAL TECHNOLOGY LIMITED (CN) 2023-04-13 WO disclosed
US-9463173-B2 Compositions and methods for treating obesity and obesity-related conditions THE JOHNS HOPKINS UNIVERSITY (US) 2016-10-11 US disclosed
US-20150250747-A1 COMPOSITIONS AND METHODS FOR TREATING OBESITY AND OBESITY-RELATED CONDITIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-09-10 US disclosed
US-20120003191-A1 VALPROIC ACID, DERIVATIVES, ANALOGUES, AND COMPOSITIONS INCLUDING SAME AND METHODS FOR THEIR THERAPEUTIC USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-01-05 US disclosed
WO-2010080581-A2 VALPROIC ACID, DERIVATIVES, ANALOGUES, AND COMPOSITIONS INCLUDING SAME AND METHODS FOR THEIR THERAPEUTIC USE THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION, ON BEHALF OF THE UNIVERSITY OF NEVADA, RENO (US) 2010-07-15 WO disclosed
US-7713550-B2 Controlled release sodium valproate formulation ANDRX CORPORATION (US) 2010-05-11 US disclosed
US-20050276850-A1 Controlled release sodium valproate formulation ANDRX CORPORATION 2005-12-15 US disclosed
EP-0430287-B2 Sustained-release drug dosage units ABBOTT LAB (US) 2000-07-12 EP disclosed
US-5268182-A Coating contains ethyl cellulose or methyl methacrylate; plasticizer and detackifying agent ABBOTT LABORATORIES (US) 1993-12-07 US disclosed
US-5169642-A Coating of ethyl cellulose and(or) methyl methacrylate with plasticizer and detackifier agent ABBOTT LABORATORIES (US) 1992-12-08 US disclosed
EP-0442012-A1 Sustained release compositions containing valproic acid YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 1991-08-21 EP disclosed
EP-0430287-A2 Sustained-release drug dosage units ABBOTT LABORATORIES (US) 1991-06-05 EP disclosed
US-4913906-A DRUG DELIVERY; UNIFORM MIXTURE WITH POLYMER; ALSO SALTS, AMIDES, ESTERS ABBOTT LABORATORIES 1990-04-03 US disclosed
US-4654370-A TREATING EPILEPTIC SEIZURES ABBOTT LABORATORIES (US) 1987-03-31 US disclosed
US-4423071-A ANOXIA, ANTICONVULSANTS, GLYCERYL BIS-(DI-N-PROPYLACETATES) SANOFI (FR) 1983-12-27 US disclosed