SCHEMBL23316728

SCHEMBL23316728

CCCCCc1ccc(-c2cc3ccc(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](C)(OCC)OCC)cc3oc2=O)c(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
MAPT P10636 3/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAOB P27338 3/20 0.38
MAOA P21397 2/20 0.38
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA6 P23280 2/20 0.36
CA7 P43166 2/20 0.36

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
SCHEMBL23316854 0.94 KDM4E (0.39) KDM4EMAPTHPGDSMN1; SMN2NPC1
SCHEMBL23316846 0.92 KDM4E (0.40) KDM4EMAPTHPGDSMN1; SMN2NPC1
SCHEMBL23542239 0.90 MAOB (0.44) KDM4EMAPTHPGDSMN1; SMN2NPC1
SCHEMBL20476451 0.90 MAOB (0.44) KDM4EMAPTHPGDSMN1; SMN2NPC1
SCHEMBL23542221 0.90 MAOB (0.44) KDM4EMAPTHPGDSMN1; SMN2NPC1
SCHEMBL23316865 0.90 KDM4E (0.38) KDM4EMAPTHPGDSMN1; SMN2NPC1
SCHEMBL23542215 0.89 KDM4E (0.40) KDM4EMAPTHPGDSMN1; SMN2NPC1
SCHEMBL23542233 0.87 KDM4E (0.38) KDM4EMAPTHPGDSMN1; SMN2NPC1
SCHEMBL23542214 0.87 KDM4E (0.39) KDM4EMAPTHPGDSMN1; SMN2NPC1
SCHEMBL23542264 0.85 MAOB (0.44) KDM4EMAPTHPGDSMN1; SMN2NPC1

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
EP-3583100-B1 COMPOUNDS CONTAINING SI ATOMS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2021-05-05 EP disclosed