SCHEMBL11904711

SCHEMBL11904711

COc1ccc(OC(=O)C2=C(c3ccc(OC)cc3)[C@H]3CCCC[C@H]23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
LMNA P02545 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SLC6A3 Q01959 1/20 0.41
MAPT P10636 2/20 0.40
MAPK1 P28482 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
TP53 P04637 1/20 0.40
EPHX2 P34913 3/20 0.40
EPHX1 P07099 1/20 0.40
THRB P10828 1/20 0.39
IKBKB O14920 1/20 0.39
RIPK2 O43353 1/20 0.39
JAK2 O60674 1/20 0.39
LCK P06239 1/20 0.39
JAK1 P23458 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
SCHEMBL10109356 0.71 KDM4E (0.48) NPC1RAB9ALMNACYP1A2CYP2C9
SCHEMBL317927 0.71 KDM4E (0.48) NPC1RAB9ALMNACYP1A2CYP2C9
SCHEMBL25977061 0.70 SLC6A2 (0.45) NPC1RAB9ALMNASMN1; SMN2SLC6A3
SCHEMBL13229416 0.70 BACE1 (0.42) NPC1RAB9ASMN1; SMN2MAPTMAPK1
SCHEMBL3692359 0.70 BACE1 (0.42) NPC1RAB9ASMN1; SMN2MAPTMAPK1
SCHEMBL4805229 0.69 KMT2A (0.75) NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL13859676 0.69 LMNA (0.68) NPC1RAB9ALMNACYP1A2CYP2C9
SCHEMBL16604902 0.69 LMNA (0.68) NPC1RAB9ALMNACYP1A2CYP2C9
SCHEMBL14817293 0.69 LMNA (0.68) NPC1RAB9ALMNACYP1A2CYP2C9
SCHEMBL8585264 0.68 KMT2A (0.72) NPC1RAB9ASMN1; SMN2MAPTEPHX2

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
EP-2290651-B1 Compositions, optical data storage media and methods for using the optical data storage media GEN ELECTRIC (US) 2012-10-10 EP claimed
EP-2290408-B1 Compositions, optical data storage media and methods for using the optical data storage media GEN ELECTRIC (US) 2012-08-15 EP claimed