SCHEMBL7874029

SCHEMBL7874029

CCc1ccc(C(C)(C)C(=O)Oc2ccc(SCC(C)(C)C(=O)O)cc2)cc1CC

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ELANE P08246 8/20 0.47
BCHE P06276 3/20 0.34
CHRM2 P08172 2/20 0.34
PPARD Q03181 3/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL9597924 0.88 ELANE (0.59) ELANEBCHECHRM2ALDH1A1MEN1
SCHEMBL8848144 0.84 ELANE (0.36) ELANEBCHECHRM2PPARDALDH1A1
SCHEMBL7352213 0.83 ELANE (0.54) ELANEALDH1A1HSD17B10RAB9AMAPT
SCHEMBL7874058 0.77 ALDH1A1 (0.33) ALDH1A1
SCHEMBL8973709 0.76 ELANE (0.47) ELANEBCHECHRM2ALDH1A1MEN1
SCHEMBL8848023 0.71 APP (0.44) MEN1KMT2A
SCHEMBL7350612 0.70 BLM (0.43) ALDH1A1TSHRHSD17B10MEN1KMT2A
SCHEMBL7345565 0.68 MEN1 (0.45) HTTHSD17B10MEN1KMT2AMAPT
SCHEMBL7298915 0.67 ALDH1A1 (0.49) PPARDALDH1A1TSHRHSD17B10MEN1
SCHEMBL2816778 0.66 FFAR1 (0.50) ALDH1A1MEN1RAB9AKMT2AL3MBTL1

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
US-6300514-B1 INHIBITING MATRIX METALLOPROTEINASES ONO PHARMACEUTICAL CO., LTD. (JP) 2001-10-09 US claimed
EP-0994104-A1 ARYL (SULFIDE, SULFOXIDE AND SULFONE) DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2000-04-19 EP claimed
US-6300514-B1 INHIBITING MATRIX METALLOPROTEINASES ONO PHARMACEUTICAL CO., LTD. (JP) 2001-10-09 US disclosed
EP-0994104-A1 ARYL (SULFIDE, SULFOXIDE AND SULFONE) DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2000-04-19 EP disclosed