SCHEMBL8316626

SCHEMBL8316626

CCCCCc1ccc(-c2ccc([S+]([O-])C3(C(=O)NOC4CCCCO4)CCOCC3)cn2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.39
NPC1 O15118 6/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
MAPT P10636 3/20 0.38
HPGD P15428 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
STAT3 P40763 1/20 0.37
ATM Q13315 1/20 0.37
CASP3 P42574 2/20 0.36
SENP8 Q96LD8 2/20 0.36
SENP7 Q9BQF6 2/20 0.36
SENP6 Q9GZR1 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.34
MGLL Q99685 1/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL6207085 0.85 MMP13 (0.43) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL5908685 0.73 MMP13 (0.41)
SCHEMBL8313537 0.72 MMP13 (0.38)
SCHEMBL8313312 0.70 RORC (0.39) RAB9ANPC1SMN1; SMN2TP53
SCHEMBL6227060 0.68 MMP13 (0.43)
SCHEMBL6251227 0.67 RAB9A (0.51) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL6697955 0.67 MMP13 (0.60) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL5908511 0.67 MMP13 (0.42)
Hydrochloric Acid SCHEMBL6206733 0.66 MMP13 (0.59) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL6206622 0.66 MMP13 (0.45) RAB9ANPC1SMN1; SMN2NFKB1NFKB2

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
WO-2004048368-A2 HETEROARYLSULFONYLMETHYL HYDROXAMIC ACIDS AND AMIDES AND THEIR USE AS PROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2004-06-10 WO disclosed