SCHEMBL4876065

SCHEMBL4876065

COc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CC[C@@H]3O2)ccc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 3/20 0.40
TFPI2 P48307 1/20 0.40
GAA P10253 2/20 0.40
PPP1CA P62136 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MCHR1 Q99705 1/20 0.38
PGR P06401 1/20 0.37
NR3C2 P08235 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL3184003 0.89 MEN1 (0.51) ALDH1A1KMT2AMEN1L3MBTL1LMNA
SCHEMBL3183990 0.89 MEN1 (0.51) ALDH1A1KMT2AMEN1L3MBTL1LMNA
SCHEMBL3184255 0.84 LMNA (0.51) ALDH1A1L3MBTL1LMNAGAASMN1; SMN2
SCHEMBL3184266 0.84 LMNA (0.51) ALDH1A1L3MBTL1LMNAGAASMN1; SMN2
SCHEMBL3198986 0.84 KMT2A (0.59) ALDH1A1KMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL3198975 0.84 KMT2A (0.59) ALDH1A1KMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL3193117 0.82 L3MBTL1 (0.51) ALDH1A1KMT2AMEN1L3MBTL1LMNA
SCHEMBL3193107 0.82 L3MBTL1 (0.51) ALDH1A1KMT2AMEN1L3MBTL1LMNA
SCHEMBL3199240 0.81 TSHR (0.54) ALDH1A1KMT2AMEN1GAASMN1; SMN2
SCHEMBL3199233 0.81 TSHR (0.54) ALDH1A1KMT2AMEN1GAASMN1; SMN2

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
US-7470797-B2 Fused heterocyclic imido and amido compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 US disclosed