SCHEMBL3970923

SCHEMBL3970923

CC(C)c1ccc(C(=O)NCC(NC(=O)O)C(C)(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HPGD P15428 2/20 0.47
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
MLYCD O95822 1/20 0.43
NR1H4 Q96RI1 2/20 0.42
KDM4E B2RXH2 2/20 0.41
USP2 O75604 1/20 0.41
MAPT P10636 1/20 0.41
USP5 P45974 1/20 0.41
GPR139 Q6DWJ6 1/20 0.40

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
SCHEMBL3763908 0.87 KDM4E (0.50) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL21141800 0.87 LMNA (0.51) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL13505994 0.87 LMNA (0.51) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL104285 0.77 HPGD (0.63) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL12089760 0.77 RAB9A (0.46) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL30729582 0.75 KMT2A (0.43) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL21141808 0.74 POLB (0.50) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL21141804 0.74 POLB (0.50) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL13505949 0.74 POLB (0.50) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL22618725 0.74 RAB9A (0.56) RAB9ASMN1; SMN2NPC1MEN1KMT2A

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-2009047240-A1 INDOLE DERIVATIVES USEFUL AS PPAR ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-04-16 WO disclosed