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SCHEMBL6685630

SCHEMBL6685630

CC(C)Oc1ccc(C(=O)NCC(C(=O)NCCNc2ccc(OC(F)(F)F)cc2)C2CCCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ CTSS P25774 14/20 0.51
▸ CTSL P07711 11/20 0.51
▸ CTSK P43235 8/20 0.51
▸ TRPV1 Q8NER1 1/20 0.46
▸ GCGR P47871 1/20 0.44
▸ NR1H4 Q96RI1 2/20 0.44
▸ EPHX2 P34913 1/20 0.44

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
SCHEMBL6689357 0.94 CTSS (0.50) NPC1HPGDRAB9ASMN1; SMN2CTSS
SCHEMBL6686940 0.90 CTSS (0.56) CTSSCTSLCTSKTRPV1GCGR
SCHEMBL6690062 0.90 CTSS (0.48) CTSSCTSLCTSKTRPV1GCGR
SCHEMBL6685498 0.86 CTSS (0.51) CTSSCTSLCTSKEPHX2
SCHEMBL6690343 0.86 CTSS (0.59) HPGDRAB9ACTSSCTSLCTSK
SCHEMBL6686273 0.85 CTSS (0.46) CTSSCTSLCTSKTRPV1
SCHEMBL6688774 0.85 CTSS (0.46) CTSSCTSLCTSK
SCHEMBL6686619 0.84 CTSS (0.46) NPC1RAB9ACTSSCTSLCTSK
SCHEMBL6691227 0.83 CTSS (0.48) CTSSCTSLCTSKEPHX2
SCHEMBL5842321 0.82 CTSS (0.74) CTSSCTSLCTSK

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-2004084842-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-10-07 — — WO disclosed