SCHEMBL7288246

SCHEMBL7288246

CC(C)CC[C@](O)(NC(=O)OC(C)(C)C)c1ccco1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
AAK1 Q2M2I8 9/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
MAPT P10636 3/20 0.38
HTT P42858 1/20 0.38
KCNA5 P22460 1/20 0.36
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.34
PPARG P37231 1/20 0.34
NCOA2 Q15596 1/20 0.34
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34

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
SCHEMBL9555628 0.79 RAB9A (0.38) NPC1RAB9ASMN1; SMN2CTSSCTSK
SCHEMBL7278146 0.76 CTSK (0.39) SMN1; SMN2AAK1CTSSCTSKMAPT
SCHEMBL7275375 0.75 AAK1 (0.41) AAK1KCNA5TSHR
SCHEMBL7269535 0.75 AAK1 (0.41) AAK1KCNA5TSHR
SCHEMBL7426619 0.70 NPC1 (0.45) NPC1RAB9ASMN1; SMN2AAK1CTSS
SCHEMBL7269236 0.68 MAPT (0.41) NPC1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL7269246 0.68 MAPT (0.41) NPC1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL15674460 0.68 NPC1 (0.48) NPC1RAB9ASMN1; SMN2CTSSCTSK
SCHEMBL15697045 0.68 NPC1 (0.48) NPC1RAB9ASMN1; SMN2CTSSCTSK
SCHEMBL15697029 0.68 NPC1 (0.48) NPC1RAB9ASMN1; SMN2CTSSCTSK

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-0376012-A2 Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1990-07-04 EP disclosed