SCHEMBL2712937

SCHEMBL2712937

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
KDM4E B2RXH2 8/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 6/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
USP2 O75604 1/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HIF1A Q16665 1/20 0.40
MAPT P10636 4/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 2/20 0.39
POLB P06746 1/20 0.39
ALOX12 P18054 1/20 0.39

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
SCHEMBL2712965 0.84 KDM4E (0.40) PIK3CAPIK3CBKDM4ENPC1RAB9A
SCHEMBL2712767 0.82 ALDH1A1 (0.42) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2711845 0.81 ALDH1A1 (0.43) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL21144538 0.79 TSHR (0.61) KDM4ENPSR1ALDH1A1PKMALOX15
SCHEMBL2178736 0.78 LMNA (0.40) PIK3CAPIK3CBKDM4ENPC1RAB9A
SCHEMBL1424827 0.77 GBA1 (0.51) KDM4ESMN1; SMN2NPSR1ALDH1A1KMT2A
SCHEMBL3412871 0.77 SMN1; SMN2 (0.41) KDM4ENPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL2726450 0.77 MAP4K1 (0.39) PIK3CAPIK3CBKDM4EALDH1A1ALOX15
SCHEMBL11956572 0.76 TSHR (0.69) KDM4ENPSR1ALDH1A1PKMALOX15
SCHEMBL6395632 0.76 MAPT (0.57) KDM4ESMN1; SMN2ALDH1A1KMT2AUSP2

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