SCHEMBL9070581

SCHEMBL9070581

[CH2]C[S+]([O-])CCC(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
STING1 Q86WV6 1/20 0.30

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
SCHEMBL29219248 0.80 DGAT1 (0.31) DGAT1HDAC3HDAC1HDAC2HDAC8
SCHEMBL28505878 0.79 CES1 (0.34)
SCHEMBL12040169 0.79 DGAT1 (0.34) DGAT1HDAC3HDAC1HDAC2HDAC8
SCHEMBL29062598 0.77 DGAT1 (0.33) DGAT1HDAC3HDAC1HDAC2HDAC8
SCHEMBL28859003 0.76 CES2 (0.38)
SCHEMBL9220667 0.75 THRB (0.38)
SCHEMBL29062585 0.74 APP (0.32) DGAT1HDAC3HDAC1HDAC2HDAC8
SCHEMBL2802412 0.73 HDAC6 (0.37) DGAT1HDAC3HDAC1HDAC2HDAC8
SCHEMBL644646 0.72 TSHR (0.45) DGAT1HDAC3HDAC1HDAC2HDAC8
SCHEMBL3558406 0.70 EPHX2 (0.39) DGAT1HDAC3HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5587499-A SIMPLE, EFFICIENT ELF ATOCHEM S.A. (FR) 1996-12-24 US disclosed
US-5457172-A An alkoxycarbonylalkylthio(or sulfone or sulfoxide) alkyl acrylate monomer; homo- and copolymers; molding materials; castings; binders; coating vehicles ELF ATOCHEM S.A. (FR) 1995-10-10 US disclosed