SCHEMBL8448682

SCHEMBL8448682

Cc1ccc(C(=O)Cc2ccc(S(=O)(=O)N[C@H](C)C(=O)O)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.57
▸ ADAMTS4 O75173 1/20 0.53
▸ MMP9 P14780 4/20 0.51
▸ MMP1 P03956 2/20 0.51
▸ MMP2 P08253 2/20 0.51
▸ MMP3 P08254 2/20 0.51
▸ MMP7 P09237 2/20 0.51
▸ MMP13 P45452 2/20 0.51
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ ITGB3 P05106 2/20 0.49
▸ ITGA2B P08514 2/20 0.49
▸ SLC1A3 P43003 1/20 0.48
▸ SLC1A2 P43004 1/20 0.48
▸ SLC1A1 P43005 1/20 0.48
▸ EGFR P00533 3/20 0.46
▸ ERBB2 P04626 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ TSHR P16473 2/20 0.45

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
SCHEMBL698907 0.85 ADAMTS4 (0.71) TDP1ADAMTS4MMP9MMP1MMP2
SCHEMBL698908 0.85 ADAMTS4 (0.71) TDP1ADAMTS4MMP9MMP1MMP2
SCHEMBL4975578 0.85 ADAMTS4 (0.71) TDP1ADAMTS4MMP9MMP1MMP2
Water SCHEMBL29881522 0.83 ADAMTS4 (0.69) TDP1ADAMTS4MMP9MMP1MMP2
SCHEMBL8448862 0.80 TDP1 (0.57) TDP1ADAMTS4MMP9MMP1MMP2
SCHEMBL7674729 0.78 MMP9 (0.66) ADAMTS4MMP9MMP1MMP2MMP3
SCHEMBL7866928 0.78 NPC1 (0.51) TDP1NPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL8448539 0.77 ADAMTS4 (0.60) TDP1ADAMTS4MMP9MMP1MMP2
SCHEMBL8448545 0.77 ADAMTS4 (0.60) TDP1ADAMTS4MMP9MMP1MMP2
SCHEMBL6793899 0.77 ADAMTS4 (0.60) TDP1ADAMTS4MMP9MMP1MMP2

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-0915086-A1 PHENYLSULFONAMIDE DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 1999-05-12 — — EP disclosed
Send feedback