SCHEMBL9989066

SCHEMBL9989066

CCCCOc1ccc2oc(C(=O)O)c(C)c2c1

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.80
MCL1 Q07820 1/20 0.56
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 5/20 0.53
GAA P10253 1/20 0.52
HPGD P15428 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
GPR35 Q9HC97 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
POLB P06746 1/20 0.47

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
SCHEMBL30621954 0.86 KDM4E (0.67) KDM4EMCL1NPC1RAB9ASMN1; SMN2
SCHEMBL26602361 0.86 KDM4E (0.67) KDM4EMCL1NPC1RAB9ASMN1; SMN2
SCHEMBL11455895 0.86 KDM4E (0.64) KDM4EMCL1NPC1RAB9ASMN1; SMN2
SCHEMBL8696622 0.83 KDM4E (0.74) KDM4EMCL1NPC1RAB9ASMN1; SMN2
SCHEMBL31453064 0.82 KDM4E (0.62) KDM4EMCL1NPC1RAB9AALDH1A1
SCHEMBL4763073 0.81 KDM4E (0.78) KDM4EMCL1NPC1RAB9ASMN1; SMN2
SCHEMBL31453042 0.81 KDM4E (0.60) KDM4EMCL1NPC1RAB9AGAA
SCHEMBL31453039 0.81 KDM4E (0.60) KDM4EMCL1NPC1RAB9ASMN1; SMN2
SCHEMBL8697696 0.81 KDM4E (0.70) KDM4EMCL1NPC1RAB9ASMN1; SMN2
SCHEMBL10488237 0.79 KDM4E (0.68) KDM4EMCL1NPC1RAB9ASMN1; SMN2

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
WO-2011159781-A2 BITTER TASTE MODULATORS SENOMYX, INC. (US) 2011-12-22 WO disclosed