SCHEMBL8224969

SCHEMBL8224969

Cc1cccc2oc(Nc3ccc(CC(=O)I)cc3)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CEPT1 Q9Y6K0 1/20 0.41
AGPAT2 O15120 2/20 0.40
IL6 P05231 2/20 0.40
STAT3 P40763 2/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
FBP1 P09467 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
ITGB1 P05556 2/20 0.38
ITGA4 P13612 2/20 0.38
ELANE P08246 2/20 0.38
HDAC6 Q9UBN7 1/20 0.37
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
CSNK1D P48730 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
SCHEMBL3763528 0.89 FFAR1 (0.45) CEPT1AGPAT2IL6STAT3SMN1; SMN2
SCHEMBL13059489 0.89 CEPT1 (0.41) CEPT1AGPAT2IL6STAT3NPC1
SCHEMBL22703625 0.87 AGPAT2 (0.41) CEPT1AGPAT2IL6STAT3NPC1
SCHEMBL13002100 0.86 CEPT1 (0.39) CEPT1AGPAT2IL6STAT3NPC1
SCHEMBL10112590 0.80 NPC1 (0.60) IL6STAT3NPC1RAB9ASMN1; SMN2
SCHEMBL3769922 0.80 NPC1 (0.45) CEPT1AGPAT2NPC1RAB9ASMN1; SMN2
SCHEMBL13058907 0.80 KDM4E (0.54) CEPT1AGPAT2NPC1RAB9ASMN1; SMN2
SCHEMBL19004805 0.80 HDAC6 (0.42) CEPT1AGPAT2IL6STAT3NPC1
SCHEMBL21776904 0.78 NPC1 (0.58) NPC1RAB9ASMN1; SMN2NPSR1FBP1
SCHEMBL13002090 0.77 HDAC6 (0.42) CEPT1AGPAT2IL6STAT3NPC1

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-2013032527-A1 LLP2A-BISPHOSPHONATE CONJUGATES FOR OSTEOPOROSIS TREATMENT THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-03-07 WO disclosed
WO-2008031016-A2 HETEROCYCLIC LIGANDS FOR INTEGRIN IMAGING AND THERAPY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-03-13 WO disclosed