SCHEMBL7722774

SCHEMBL7722774

CCCC(C#N)(CCC)C(=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 3/20 0.47
TSHR P16473 1/20 0.47
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
PKM P14618 2/20 0.38
THRB P10828 1/20 0.38
MAPT P10636 2/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 1/20 0.37
KDM4E B2RXH2 2/20 0.35
LMNA P02545 2/20 0.34
HSD17B10 Q99714 2/20 0.34
ALOX15 P16050 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 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
SCHEMBL28279667 0.92 MEN1 (0.49) MEN1KMT2AALDH1A1TSHRCYP4F2
SCHEMBL7709450 0.89 MEN1 (0.49) MEN1KMT2AALDH1A1TSHRCYP4F2
SCHEMBL28631996 0.86 MEN1 (0.38) MEN1KMT2AALDH1A1TSHRCYP4F2
SCHEMBL18290151 0.85 MEN1 (0.68) MEN1KMT2AALDH1A1TSHRCYP4F2
SCHEMBL1963 0.83 ALDH1A1 (0.50) MEN1KMT2AALDH1A1TSHRCYP4F2
SCHEMBL28626937 0.83 ALDH1A1 (0.44) MEN1KMT2AALDH1A1TSHRATM
SCHEMBL28063767 0.82 MEN1 (0.36) MEN1KMT2AALDH1A1TSHRLMNA
SCHEMBL8399191 0.82 MEN1 (0.48) MEN1KMT2AALDH1A1TSHRCYP4F2
SCHEMBL18457870 0.80 MEN1 (0.39) MEN1KMT2AALDH1A1TSHRPKM
SCHEMBL31522371 0.79 MEN1 (0.36) MEN1KMT2AALDH1A1TSHRCYP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113200844-A Preparation method of sodium valproate 上海青平药业有限公司 2021-08-03 CN claimed
CN-119930467-A Preparation method of 2-cyano-2-propyl valerate and valproic acid 湖南省湘中制药有限公司 2025-05-06 CN disclosed
CN-113200844-A Preparation method of sodium valproate 上海青平药业有限公司 2021-08-03 CN disclosed
WO-2008062471-A2 A MILD METHOD FOR THE PRODUCTION OF DI-N-PROPYLACETIC ACID (VALPROIC ACID) CALYX CHEMICALS AND PHARMACEUTICALS LTD. (IN) 2008-05-29 WO disclosed
US-6399809-B1 FROM MALONIC ACID MONOESTER AMIDE DEGUSSA AG (DE) 2002-06-04 US disclosed
EP-0835859-B1 Process for producing valproic acid SIGMA TAU IND FARMACEUTI (IT) 2000-05-03 EP disclosed
US-5856569-A Process for producing valproic acid SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 1999-01-05 US disclosed
EP-0835859-A1 Process for producing valproic acid Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1998-04-15 EP disclosed