SCHEMBL8596180

SCHEMBL8596180

O=C(O)C1C2C=CC(CC2)C1S(=O)(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MMP13 P45452 7/20 0.46
MMP1 P03956 5/20 0.46
MMP8 P22894 2/20 0.46
SOS1 Q07889 1/20 0.43
MMP2 P08253 7/20 0.42
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
MMP14 P50281 6/20 0.41
MMP9 P14780 5/20 0.41
MMP3 P08254 2/20 0.41
MMP7 P09237 2/20 0.41
ADAM17 P78536 1/20 0.41
HTT P42858 1/20 0.40
CA12 O43570 1/20 0.40

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
SCHEMBL6629126 0.79 LMNA (0.47) LMNASMN1; SMN2ALDH1A1MMP13MMP1
SCHEMBL2000854 0.74 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1POLBTDP1CA12
SCHEMBL8596522 0.73 MMP1 (0.47) LMNASMN1; SMN2ALDH1A1MMP13MMP1
SCHEMBL4654488 0.70 MMP1 (0.47) MMP13MMP1MMP8MMP2MMP14
SCHEMBL7763707 0.68 LMNA (0.46) LMNASMN1; SMN2ALDH1A1MMP13MMP1
SCHEMBL13475185 0.66 ALDH1A1 (0.42) LMNASMN1; SMN2ALDH1A1MMP2HTT
SCHEMBL1133806 0.65 SOS1 (0.64) LMNASMN1; SMN2ALDH1A1MMP13MMP1
SCHEMBL6123058 0.65 HTT (0.81) LMNASMN1; SMN2ALDH1A1MMP13MMP1
SCHEMBL146566 0.65 HTT (0.81) LMNASMN1; SMN2ALDH1A1MMP13MMP1
SCHEMBL17559302 0.65 HTT (0.81) LMNASMN1; SMN2ALDH1A1MMP13MMP1

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
EP-0818442-A2 Cyclic sulphone derivatives as inhibitors of metalloproteinases and of the production of tumour necrosis factor PFIZER INC. (US) 1998-01-14 EP disclosed