SCHEMBL6773750

SCHEMBL6773750

CCCCCc1ccc(S(=O)(=O)N(CCN2CCOCC2)CC(C)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.50
THRA P10827 1/20 0.50
CA12 O43570 2/20 0.48
CA9 Q16790 2/20 0.48
ALDH1A1 P00352 5/20 0.48
CA1 P00915 1/20 0.48
MMP3 P08254 1/20 0.46
BMP1 P13497 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RORC P51449 1/20 0.41
TBXA2R P21731 1/20 0.41
TBXAS1 P24557 1/20 0.41
GAA P10253 1/20 0.41
MMP2 P08253 1/20 0.41
MMP13 P45452 1/20 0.41

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
SCHEMBL6326430 0.90 THRB (0.47) THRBTHRACA12CA9ALDH1A1
SCHEMBL6326453 0.87 CA12 (0.49) THRBTHRACA12CA9ALDH1A1
SCHEMBL6323083 0.86 ALDH1A1 (0.54) THRBTHRACA12CA9ALDH1A1
SCHEMBL6325872 0.82 THRB (0.50) THRBTHRACA12CA9ALDH1A1
SCHEMBL6326427 0.80 THRB (0.47) THRBTHRACA12CA9ALDH1A1
SCHEMBL7414482 0.78 MMP3 (0.51) ALDH1A1MMP3BMP1GAAMMP2
SCHEMBL6323724 0.78 THRB (0.48) THRBTHRACA12CA9ALDH1A1
SCHEMBL6330653 0.76 MMP3 (0.51) THRBALDH1A1MMP3LMNASMN1; SMN2
SCHEMBL6331601 0.76 ALDH1A1 (0.54) THRBTHRACA12CA9ALDH1A1
SCHEMBL6324038 0.76 MMP3 (0.52) THRBTHRAALDH1A1MMP3LMNA

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-6747027-B1 SELECTIVELY INHIBITS IN VITRO ACTIVITY OF HUMAN MATRIX METALLOPROTEASE-13 OVER IN VITRO ACTIVITY OF HUMAN MATRIX METALLOPROTEASE-1 PHARMACIA CORPORATION 2004-06-08 US disclosed