SCHEMBL2712965

SCHEMBL2712965

COC(=O)c1cc(C(=O)OC(C)(C)C)cc(N2CCCC2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
MAPT P10636 3/20 0.38
APAF1 O14727 2/20 0.38
GAA P10253 2/20 0.38
HTT P42858 1/20 0.38
RBP4 P02753 1/20 0.37
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
USP2 O75604 2/20 0.36
PKM P14618 1/20 0.36
GBA1 P04062 2/20 0.35
PPP1CA P62136 1/20 0.35
SENP8 Q96LD8 1/20 0.35

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
SCHEMBL2712897 0.84 ADORA2A (0.36) KDM4ESMN1; SMN2NPC1RAB9ANPSR1
SCHEMBL2712937 0.84 PIK3CA (0.41) KDM4ESMN1; SMN2NPC1RAB9ANPSR1
SCHEMBL2712232 0.83 ADORA2A (0.39) KDM4ESMN1; SMN2NPC1RAB9AMAPT
SCHEMBL23304303 0.81 HTR2A (0.40) KDM4ESMN1; SMN2NPC1RAB9ANPSR1
SCHEMBL30260181 0.81 HTR2A (0.40) KDM4ESMN1; SMN2NPC1RAB9ANPSR1
SCHEMBL6465278 0.79 MAP4K1 (0.37) PIK3CAPIK3CBRBP4
SCHEMBL2712865 0.76 HDAC1 (0.34) RBP4ALDH1A1GPR119
SCHEMBL2711532 0.75 ALDH1A1 (0.60) KDM4EMAPTGAAALDH1A1KMT2A
SCHEMBL2178736 0.74 LMNA (0.40) KDM4ESMN1; SMN2NPC1RAB9ANPSR1
SCHEMBL3716189 0.74 LMNA (0.46) KDM4ESMN1; SMN2NPC1RAB9ANPSR1

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
WO-2012054510-A1 OXADIAZOLE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2012-04-26 WO disclosed
WO-2012054510-A1 OXADIAZOLE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2012-04-26 WO disclosed