SCHEMBL9705262

SCHEMBL9705262

CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)[C@H](O)c1nccs1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
REN P00797 11/20 0.46
CTSD P07339 1/20 0.46
CTSE P14091 1/20 0.46
CTSK P43235 2/20 0.43
CTSS P25774 1/20 0.43
POLB P06746 1/20 0.40
CYP3A4 P08684 2/20 0.40
CNR2 P34972 2/20 0.39
AAK1 Q2M2I8 1/20 0.38
KCNH2 Q12809 1/20 0.37

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
SCHEMBL9705257 1.00 REN (0.46) RENCTSDCTSECTSKCTSS
SCHEMBL9741069 0.89 REN (0.47) RENCTSDCTSECTSKCTSS
SCHEMBL9741074 0.89 REN (0.47) RENCTSDCTSECTSKCTSS
SCHEMBL9740133 0.84 REN (0.41) RENCTSDCTSECTSKCTSS
SCHEMBL9740136 0.84 REN (0.41) RENCTSDCTSECTSKCTSS
SCHEMBL7316703 0.83 POLB (0.43) CTSKPOLBCNR2KCNH2
SCHEMBL7316693 0.83 POLB (0.43) CTSKPOLBCNR2KCNH2
SCHEMBL6577311 0.82 CA1 (0.40) CTSKCTSSCNR2
SCHEMBL9725752 0.80 CA1 (0.44) RENCTSKCTSSCNR2AAK1
SCHEMBL7295320 0.80 CA1 (0.44) RENCTSKCTSSCNR2AAK1

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-0487980-A1 Aminodiols-derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1992-06-03 EP disclosed