SCHEMBL13979639

SCHEMBL13979639

CC1(C)CCc2cc(C(O)O)ccc2O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
COXFA4 O00483 1/20 0.43
PKM P14618 2/20 0.42
CTSB P07858 1/20 0.41
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
AKT1 P31749 2/20 0.40
PKLR P30613 1/20 0.40
MGAM O43451 4/20 0.40
GAA P10253 4/20 0.40
SI P14410 4/20 0.40
MGAM2 Q2M2H8 4/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TRIM24 O15164 1/20 0.38
BRD1 O95696 1/20 0.38
BRPF1 P55201 1/20 0.38

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
SCHEMBL10238811 0.85 MAPT (0.45) NPC1MAPTRAB9ACOXFA4PKM
SCHEMBL13877343 0.83 MAPT (0.43) NPC1MAPTRAB9ACOXFA4PKM
SCHEMBL18101747 0.82 AKT1 (0.40) NPC1MAPTRAB9ACOXFA4PKM
SCHEMBL18101763 0.82 AKT1 (0.40) NPC1MAPTRAB9ACOXFA4PKM
Hydrochloric Acid SCHEMBL27777901 0.81 MAPT (0.42) NPC1MAPTRAB9ACOXFA4PKM
Hydrochloric Acid SCHEMBL4372394 0.81 MAPT (0.42) NPC1MAPTRAB9ACOXFA4PKM
SCHEMBL30513267 0.78 AKT1 (0.56) NPC1MAPTRAB9ACOXFA4PKM
SCHEMBL3184205 0.78 AKT1 (0.56) NPC1MAPTRAB9ACOXFA4PKM
SCHEMBL12465725 0.78 PKM (0.41) NPC1MAPTRAB9ACOXFA4PKM
SCHEMBL5037678 0.78 COXFA4 (0.42) NPC1MAPTRAB9ACOXFA4PKM

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-1558235-B1 METHODS OF TREATMENT DURING VASCULAR PROCEDURES ALLERGAN INC (US) 2008-12-10 EP disclosed