SCHEMBL6768136

SCHEMBL6768136

C[C@H](CS)N(CCN1CCCCC1)S(=O)(=O)c1ccc(C2=CC=CCC2=S)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.42
SRC P12931 2/20 0.34
MMP3 P08254 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ABL1 P00519 2/20 0.33
PSEN1 P49768 6/20 0.33
PSEN2 P49810 6/20 0.33
APH1B Q8WW43 6/20 0.33
NCSTN Q92542 6/20 0.33
APH1A Q96BI3 6/20 0.33
PSENEN Q9NZ42 6/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
MMP2 P08253 2/20 0.31
MMP9 P14780 1/20 0.31
HTR7 P34969 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31
MMP13 P45452 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
Hydrochloric Acid SCHEMBL6324127 0.99 SIGMAR1 (0.41) SIGMAR1SRCMMP3ALDH1A1SMN1; SMN2
SCHEMBL6767719 0.91 MMP2 (0.40) SIGMAR1MMP3ALDH1A1PSEN1PSEN2
SCHEMBL6324360 0.91 SIGMAR1 (0.42) SIGMAR1SRCMMP3ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL6325647 0.90 MMP2 (0.39) SIGMAR1MMP3ALDH1A1PSEN1PSEN2
SCHEMBL6326033 0.81 MMP2 (0.43) MMP3ALDH1A1PSEN1PSEN2APH1B
SCHEMBL6324718 0.78 ADAMTS4 (0.34) ALDH1A1SMN1; SMN2HTR7
SCHEMBL6328935 0.73 TSHR (0.50) ALDH1A1SMN1; SMN2MMP9MMP13
SCHEMBL6324141 0.72 HRH3 (0.48) ALDH1A1SMN1; SMN2MMP9MMP13
SCHEMBL6407532 0.70 ADAMTS4 (0.36) ALDH1A1SMN1; SMN2PSEN1PSEN2APH1B
SCHEMBL6769197 0.70 ADAMTS4 (0.36) ALDH1A1SMN1; SMN2PSEN1PSEN2APH1B

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