SCHEMBL3123216

SCHEMBL3123216

CCN(CC)C(=O)CCCOc1[c]cccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.52
▸ LMNA P02545 4/20 0.52
▸ TSHR P16473 3/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ RAB9A P51151 4/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ HPGD P15428 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.41
▸ APP P05067 1/20 0.38
▸ TSPO P30536 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36

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
SCHEMBL3120409 0.93 LMNA (0.44) NPC1LMNATSHRALOX15MAPK1
SCHEMBL3130536 0.85 PDK2 (0.42) NPC1LMNATSHRALOX15MAPK1
SCHEMBL8749753 0.84 RAB9A (0.54) NPC1TSHRRAB9AALDH1A1TSPO
SCHEMBL5144078 0.82 CYP1A2 (0.40) NPC1LMNATSHRALOX15MAPK1
SCHEMBL17048204 0.81 CYP4F2 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL3129660 0.80 ALDH1A1 (0.36) NPC1LMNATSHRALOX15MAPK1
SCHEMBL16390799 0.79 PPARA (0.44) LMNATSHRMAPK1SMN1; SMN2ALDH1A1
SCHEMBL3123146 0.78 ALDH1A1 (0.36) NPC1LMNATSHRALOX15MAPK1
SCHEMBL3127319 0.78 PDK2 (0.41) NPC1LMNARAB9ASMN1; SMN2ALDH1A1
SCHEMBL16390865 0.78 MAPT (0.44) LMNATSHRHSD17B10SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010036316-A1 UREA AND CARBAMATE COMPOUNDS AND ANALOGS AS KINASE INHIBITORS FENG YANGBO (US) 2010-04-01 — — WO claimed
WO-2010036316-A1 UREA AND CARBAMATE COMPOUNDS AND ANALOGS AS KINASE INHIBITORS FENG YANGBO (US) 2010-04-01 — — WO disclosed
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