SCHEMBL5823399

SCHEMBL5823399

COc1ccc(N)c(C(=O)c2ccc3c(c2)OCO3)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 2/20 0.57
WNT3A P56704 2/20 0.57
RAB9A P51151 6/20 0.55
NPC1 O15118 5/20 0.55
MAPT P10636 5/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
ALDH1A1 P00352 3/20 0.52
LMNA P02545 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALOX12 P18054 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
SRD5A2 P31213 1/20 0.49
PTGS2 P35354 1/20 0.48
EDNRB P24530 1/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL8577219 0.86 SMN1; SMN2 (0.48) CTNNB1WNT3ARAB9ANPC1MAPT
SCHEMBL4841835 0.85 SRD5A2 (0.56) CTNNB1WNT3ARAB9ANPC1MAPT
SCHEMBL8301109 0.84 RAB9A (0.61) CTNNB1WNT3ARAB9ANPC1MAPT
SCHEMBL4823544 0.82 RAB9A (0.68) CTNNB1WNT3ARAB9ANPC1MAPT
SCHEMBL4823371 0.81 CTNNB1 (0.78) CTNNB1WNT3ARAB9ANPC1MAPT
SCHEMBL3522633 0.81 MAPT (0.60) CTNNB1WNT3ARAB9ANPC1MAPT
SCHEMBL8081475 0.80 MAPT (0.65) RAB9ANPC1MAPTALDH1A1LMNA
SCHEMBL4821161 0.78 CTNNB1 (0.61) CTNNB1WNT3ARAB9ANPC1MAPT
SCHEMBL2533157 0.76 ALDH1A1 (0.67) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL31366495 0.76 ALDH1A1 (0.67) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1

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-2006032470-A1 COMPOUNDS WHICH INCREASE APOLIPOPROTEIN A-1 PRODUCTION AND USES THEREOF IN MEDICINE SMITHKLINE BEECHAM CORPORATION (US) 2006-03-30 WO disclosed