SCHEMBL11097223

SCHEMBL11097223

Cc1occc1C(C)(C)C(O)=S

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.39
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
NPC1 O15118 2/20 0.33
GAA P10253 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.31

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
SCHEMBL11820396 0.74 HPGD (0.36) ALOX5KDM4ELMNANPC1RAB9A
SCHEMBL547888 0.74 ALOX5 (0.40) ALOX5KDM4ELMNANPC1RAB9A
SCHEMBL802241 0.73 KDM4E (0.38) ALOX5KDM4ELMNANPC1RAB9A
SCHEMBL19718161 0.67 SMN1; SMN2 (0.38) ALOX5KDM4ELMNANPC1GAA
SCHEMBL29085531 0.65 KDM4E (0.36) ALOX5KDM4ELMNAHPGD
SCHEMBL2959546 0.61 ALOX5 (0.43) ALOX5KDM4ELMNANPC1GAA
SCHEMBL8985724 0.61
SCHEMBL27008259 0.60 LMNA (0.48) ALOX5KDM4ELMNANPC1GAA
SCHEMBL2968806 0.60 ALOX5 (0.39) ALOX5KDM4ELMNANPC1GAA
SCHEMBL31424940 0.60

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
US-4481224-A POSSIBLE REPLACEMENT FOR MONOSODIUM GLUTAMATE IN FOODS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1984-11-06 US disclosed