SCHEMBL6996878

SCHEMBL6996878

CC(C)(C)[Si](C)(C)OCCNC(=O)c1ccc2c(c1)COC2

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.44
NPC1 O15118 8/20 0.44
HPGD P15428 3/20 0.40
NAMPT P43490 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 3/20 0.38
MAPT P10636 3/20 0.38
POLB P06746 1/20 0.38
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
KMT2A Q03164 2/20 0.37
ALOX5 P09917 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
TP53 P04637 2/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL4599310 0.77 RAB9A (0.50) RAB9ANPC1MAPTPOLBCASP3
SCHEMBL21060525 0.77 ESRRG (0.52) RAB9ANPC1HPGDSMN1; SMN2KDM4E
SCHEMBL6622210 0.76 HPGD (0.54) RAB9ANPC1HPGDNAMPTSMN1; SMN2
SCHEMBL357988 0.75 TP53 (0.49) RAB9ANPC1HPGDSMN1; SMN2HTT
SCHEMBL16145989 0.74 TP53 (0.50) RAB9ANPC1SMN1; SMN2HTTPOLB
SCHEMBL6812253 0.73 SMN1; SMN2 (0.45) RAB9ANPC1SMN1; SMN2HTTPOLB
SCHEMBL20037576 0.73 EPHX2 (0.51) RAB9ANPC1SMN1; SMN2KDM4EPOLB
SCHEMBL21060558 0.73 MEN1 (0.61) RAB9ANPC1SMN1; SMN2KDM4EMAPT
SCHEMBL6812179 0.73 SMN1; SMN2 (0.44) RAB9ANPC1SMN1; SMN2HTTPOLB
SCHEMBL358780 0.72 ALDH1A1 (0.50) RAB9ANPC1HPGDSMN1; SMN2HTT

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-1345930-A2 PHARMACEUTICAL COMPOUNDS ELI LILLY AND COMPANY (US) 2003-09-24 EP disclosed
WO-2002050067-A2 PHARMACEUTICAL HETEROCYCLIC COMPOUNDS ELI LILLY AND COMPANY (US) 2002-06-27 WO disclosed