SCHEMBL14677752

SCHEMBL14677752

C=CCc1cccs1.CC(=O)c1cccs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.46
NPC1 O15118 6/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 5/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
KDM4E B2RXH2 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 5/20 0.43
MEN1 O00255 3/20 0.43
POLB P06746 2/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
DAO P14920 1/20 0.42
HPGD P15428 4/20 0.41
GSK3B P49841 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41

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
Ethyne SCHEMBL28753719 0.81 TAAR1 (0.43) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL29660 0.81
SCHEMBL8524441 0.79
Methane SCHEMBL21683042 0.79
Ammonia Solution, Strong SCHEMBL1585279 0.79
SCHEMBL9628677 0.79
Hydrochloric Acid SCHEMBL27656714 0.79
SCHEMBL14764287 0.79 CES2 (0.65) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL3798 0.79
Glycolic Acid SCHEMBL11501012 0.79 CYP2C19 (0.47) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA

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-2013017974-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEUROMUSCULAR DISORDERS AND NEURODEGENERATIVE DISEASES KANDULA MAHESH (IN) 2013-02-07 WO disclosed