SCHEMBL3408229

SCHEMBL3408229

CC(C)(C)NC(=O)C(Cc1ccccc1)N(c1ccccc1)C1CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
OPRD1 P41143 2/20 0.37
SCN9A Q15858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MMP2 P08253 2/20 0.37
MMP3 P08254 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
HDAC1 Q13547 1/20 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
SCHEMBL3405501 0.71 ALDH1A1 (0.40) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL15314130 0.70 CYP3A4 (0.59) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL5476967 0.69 MAPT (0.42) MDM2MEN1KMT2ANPC1MAPT
SCHEMBL12234221 0.69 ALPI (0.58) NPC1MAPTRAB9AMMP2
SCHEMBL22369889 0.69 ALPI (0.58) NPC1MAPTRAB9AMMP2
SCHEMBL13575264 0.69 NPC1 (0.47) MDM2ALDH1A1NPC1MAPTRAB9A
SCHEMBL13575244 0.69 NPC1 (0.47) MDM2ALDH1A1NPC1MAPTRAB9A
SCHEMBL7724094 0.69 MMP2 (0.43) ALDH1A1NPC1MAPTRAB9AMMP2
SCHEMBL19953687 0.69 TRPM8 (0.39) MEN1KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL29047084 0.68 EPHX1 (0.56) ALDH1A1NPC1MAPTRAB9ACYP3A4

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-2177502-A1 Compounds and their use Oryzon Genomics, S.A. (ES) 2010-04-21 EP claimed
EP-2177502-A1 Compounds and their use Oryzon Genomics, S.A. (ES) 2010-04-21 EP disclosed