SCHEMBL9218327

SCHEMBL9218327

C=C(CCSCC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
TET2 Q6N021 1/20 0.34
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
EPHX2 P34913 1/20 0.30
CCNB2 O95067 1/20 0.30
CCNE2 O96020 1/20 0.30
CDK1 P06493 1/20 0.30
CDK4 P11802 1/20 0.30
CCNB1 P14635 1/20 0.30
CCND1 P24385 1/20 0.30
CCNE1 P24864 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
SCHEMBL4079989 0.78 TET2 (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL4202803 0.77 TSHR (0.43) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL8546872 0.75 MAPT (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL4087831 0.75 EPHX2 (0.38) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL23768567 0.74 CYP2C9 (0.40) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL882496 0.74 TDP1 (0.39) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL8546618 0.74 HSD17B10 (0.39) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL11123745 0.73 HSD17B10 (0.52) TET2CYP2C19SMN1; SMN2TDP1
SCHEMBL22145756 0.73 HDAC3 (0.36) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL4838871 0.72 TET2 (0.42) HDAC3HDAC1HDAC2HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
JP-6080624-A None JP disclosed
JP-H0680624-A NEW (META)ACRYLIC COMPOUND, ITS PREPARATION AND ITS APPLICATION TO SYNTHESIS OF NEW POLYMER ELF ATOCHEM SA 1994-03-22 JP disclosed