SCHEMBL8885682

SCHEMBL8885682

CCOC(=O)CNC(=O)c1ccc2c(c1)C=C(C)C(C)(C)O2

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
TP53 P04637 1/20 0.58
GLA P06280 1/20 0.58
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 3/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
POLB P06746 1/20 0.44
MAPT P10636 3/20 0.43
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.40
BRCA1 P38398 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL8883214 0.86 CYP1A2 (0.44) NPC1RAB9ATP53GLAALDH1A1
SCHEMBL8884548 0.82 NPC1 (0.58) NPC1RAB9ATP53GLAALDH1A1
SCHEMBL8882904 0.76 NPC1 (0.55) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL11096894 0.71 NPC1 (0.61) NPC1RAB9ATP53GLAALDH1A1
SCHEMBL13149442 0.70 TDP1 (0.77) NPC1RAB9ATP53GLAALDH1A1
SCHEMBL29195060 0.70 MAPT (0.75) NPC1RAB9ATP53GLAALDH1A1
SCHEMBL10062944 0.69 NPC1 (0.56) NPC1RAB9ATP53GLAALDH1A1
SCHEMBL879084 0.69 NPC1 (0.56) NPC1RAB9ATP53GLAALDH1A1
SCHEMBL833589 0.69 NPC1 (0.68) NPC1RAB9ATP53GLAALDH1A1
SCHEMBL15595269 0.69 KMT2A (0.78) NPC1RAB9ATP53GLAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5677324-A MUSCLE RELAXANTS PFIZER INC. (US) 1997-10-14 US disclosed
EP-0690855-B1 BENZOPYRANES AS POTASSIUM CHANNEL OPENERS PFIZER LTD (GB) 1996-12-18 EP disclosed
WO-1994020491-A1 BENZOPYRANES AS POTASSIUM CHANNEL OPENERS PFIZER LIMITED (GB) 1994-09-15 WO disclosed