SCHEMBL9103082

SCHEMBL9103082

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCC)Nc1ccc(C=Cc2ccc(S(=O)(=O)C(O)CCCCC)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 7/20 0.41
MMP1 P03956 6/20 0.41
MMP9 P14780 4/20 0.41
ADAM17 P78536 3/20 0.41
MMP2 P08253 2/20 0.40
MMP3 P08254 2/20 0.40
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
MMP7 P09237 3/20 0.34
MMP12 P39900 3/20 0.34
ACE P12821 2/20 0.34
NR1I2 O75469 1/20 0.34
CA2 P00918 4/20 0.34
CA1 P00915 3/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL9099066 1.00 MMP13 (0.41) MMP13MMP1MMP9ADAM17MMP2
SCHEMBL9101091 1.00 MMP13 (0.41) MMP13MMP1MMP9ADAM17MMP2
SCHEMBL9100237 1.00 MMP13 (0.41) MMP13MMP1MMP9ADAM17MMP2
SCHEMBL9100035 1.00 MMP13 (0.41) MMP13MMP1MMP9ADAM17MMP2
SCHEMBL9099966 1.00 MMP13 (0.41) MMP13MMP1MMP9ADAM17MMP2
SCHEMBL9101864 1.00 MMP13 (0.41) MMP13MMP1MMP9ADAM17MMP2
SCHEMBL9099056 0.96 MMP13 (0.41) MMP13MMP1MMP9ADAM17MMP2
SCHEMBL9099975 0.96 MMP13 (0.41) MMP13MMP1MMP9ADAM17MMP2
SCHEMBL9101256 0.94 MMP13 (0.41) MMP13MMP1MMP9ADAM17MMP2
SCHEMBL9099161 0.94 MMP13 (0.41) MMP13MMP1MMP9ADAM17MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5517350-A Optical component based on Langmuir-Blodgett layers HOECHST AKTIENGESELLSCHAFT (DE) 1996-05-14 US disclosed