SCHEMBL12370397

SCHEMBL12370397

CCCC(C)S(=O)(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.56
PSIP1 O75475 1/20 0.48
MMP1 P03956 3/20 0.45
MMP7 P09237 3/20 0.45
MMP12 P39900 3/20 0.45
MMP13 P45452 3/20 0.45
ACE P12821 2/20 0.45
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HTR6 P50406 1/20 0.39
HSD11B1 P28845 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL2445638 0.89 MMP13 (0.54) SMN1; SMN2PSIP1MMP1MMP7MMP12
SCHEMBL21498156 0.85 MMP13 (0.48) SMN1; SMN2PSIP1MMP1MMP7MMP12
SCHEMBL2446838 0.83 PSIP1 (0.52) SMN1; SMN2PSIP1MMP1MMP7MMP12
SCHEMBL28121988 0.82 PRKDC (0.46) SMN1; SMN2PSIP1MMP1MMP7MMP12
SCHEMBL15948905 0.82 CA2 (0.57) SMN1; SMN2MMP1MMP13ALDH1A1CYP2C9
SCHEMBL23106681 0.82 CA2 (0.57) SMN1; SMN2MMP1MMP13ALDH1A1CYP2C9
SCHEMBL28023639 0.82 SMN1; SMN2 (0.42) SMN1; SMN2PSIP1MMP1MMP7MMP12
SCHEMBL28604397 0.82 SMN1; SMN2 (0.50) SMN1; SMN2PSIP1MMP1MMP7MMP12
SCHEMBL28820920 0.82 MMP1 (0.54) SMN1; SMN2PSIP1MMP1MMP7MMP12
SCHEMBL14537429 0.81 MMP2 (0.44) SMN1; SMN2MMP1MMP7MMP13ALDH1A1

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
CN-103509135-B Olefin polymerization catalyst component, preparation method and application thereof CHINA PETROLEUM & CHEMICAL 2015-07-22 CN disclosed
US-7993879-B2 Fluorescent protein sensors for detection of analytes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-08-09 US disclosed