SCHEMBL6629126

SCHEMBL6629126

O=C(O)C1C2CCC(O2)C1S(=O)(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MMP1 P03956 5/20 0.44
MMP13 P45452 3/20 0.44
MMP8 P22894 3/20 0.44
SOS1 Q07889 1/20 0.44
TFPI2 P48307 4/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
MMP2 P08253 3/20 0.41
KDM4E B2RXH2 1/20 0.40
GMNN O75496 1/20 0.40
PMP22 Q01453 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
THPO P40225 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
SCHEMBL4654488 0.88 MMP1 (0.47) MMP1MMP13MMP8MMP2MMP3
SCHEMBL8182692 0.81 CA1 (0.38) LMNASMN1; SMN2ALDH1A1MMP1MMP13
SCHEMBL8596180 0.79 LMNA (0.49) LMNASMN1; SMN2ALDH1A1MMP1MMP13
SCHEMBL8596522 0.71 MMP1 (0.47) LMNASMN1; SMN2ALDH1A1MMP1MMP13
SCHEMBL7763707 0.66 LMNA (0.46) LMNASMN1; SMN2ALDH1A1MMP1MMP13
SCHEMBL6515525 0.63 SOS1 (1.00) LMNASMN1; SMN2ALDH1A1SOS1CA12
SCHEMBL1133806 0.63 SOS1 (0.64) LMNASMN1; SMN2ALDH1A1MMP1MMP13
SCHEMBL6123058 0.63 HTT (0.81) LMNASMN1; SMN2ALDH1A1MMP1MMP13
SCHEMBL17559302 0.63 HTT (0.81) LMNASMN1; SMN2ALDH1A1MMP1MMP13
SCHEMBL146566 0.63 HTT (0.81) LMNASMN1; SMN2ALDH1A1MMP1MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0950059-B1 CYCLIC SULFONE DERIVATIVES PFIZER (US) 2004-08-04 EP disclosed
US-6077864-A USEFUL IN THE TREATMENT OF ARTHRITIS, CANCER, TISSUE ULCERATION, MACULAR DEGENERATION, RESTENOSIS, PERIODONTAL DISEASE, EPIDERMOLYSIS BULLOSA, SCLERITIS PFIZER INC. (US) 2000-06-20 US disclosed
EP-0950059-A1 CYCLIC SULFONE DERIVATIVES PFIZER INC. (US) 1999-10-20 EP disclosed
WO-1998030566-A1 CYCLIC SULFONE DERIVATIVES PFIZER INC. (US) 1998-07-16 WO disclosed