SCHEMBL8276256

SCHEMBL8276256

CC(C)CN(CCCNC(=O)O)S(=O)(=O)c1ccc2c(c1)CCO2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.58
MMP13 P45452 2/20 0.58
KEAP1 Q14145 2/20 0.48
NFE2L2 Q16236 2/20 0.48
LMNA P02545 5/20 0.45
HTT P42858 1/20 0.45
ALDH1A1 P00352 4/20 0.45
TSHR P16473 1/20 0.45
TAS2R14 Q9NYV8 1/20 0.43
NPC1 O15118 1/20 0.42
PKM P14618 2/20 0.42
PKLR P30613 1/20 0.41
CHRM5 P08912 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 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
SCHEMBL13463174 0.84 MMP2 (0.60) MMP2MMP13KEAP1NFE2L2LMNA
SCHEMBL18721777 0.78 TAS2R14 (0.55) MMP2MMP13KEAP1NFE2L2HTT
SCHEMBL13265885 0.76 TAS2R14 (0.52) MMP2MMP13LMNAALDH1A1TAS2R14
SCHEMBL14338879 0.76 MMP2 (0.51) MMP2MMP13KEAP1NFE2L2LMNA
SCHEMBL2582258 0.75 KEAP1 (0.50) MMP2MMP13KEAP1NFE2L2LMNA
SCHEMBL19558708 0.75 TAS2R14 (0.51) MMP2MMP13LMNAALDH1A1TAS2R14
SCHEMBL2576422 0.75 MMP2 (0.48) MMP2MMP13KEAP1NFE2L2LMNA
SCHEMBL13825586 0.74 MMP2 (0.46) MMP2MMP13KEAP1NFE2L2LMNA
SCHEMBL5983203 0.74 SPPL2A (0.67) MMP2MMP13KEAP1NFE2L2LMNA
SCHEMBL12156755 0.74 SPPL2A (0.67) MMP2MMP13KEAP1NFE2L2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2422780-A1 Resistance-repellent retroviral protease inhibitors Sequoia Pharmaceuticals, Inc. (US) 2012-02-29 EP disclosed
EP-2422781-A1 Resistance-repellent retroviral protease inhibitors Sequoia Pharmaceuticals, Inc. (US) 2012-02-29 EP disclosed
WO-2005110428-A2 RESISTANCE-REPELLENT RETROVIRAL PROTEASE INHIBITORS SEQUOIA PHARMACEUTICALS, INC. (US) 2005-11-24 WO disclosed