SCHEMBL5795136

SCHEMBL5795136

CC(C)(C)OC(=O)c1cc2cc(CO)ccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
RAB9A P51151 4/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HSD17B10 Q99714 1/20 0.48
NPC1 O15118 3/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
NHERF1 O14745 3/20 0.44
PYGL P06737 1/20 0.44
MMP13 P45452 4/20 0.44
MMP2 P08253 3/20 0.44
XDH P47989 2/20 0.42
MMP14 P50281 1/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
LEF1 Q9UJU2 1/20 0.41

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
SCHEMBL13174359 0.82 KDM4E (0.72) KDM4ERAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL832227 0.81 RAB9A (0.67) KDM4ERAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL4666737 0.80 F7 (0.60) RAB9ANPC1HRH3PYGLPDGFRB
SCHEMBL7493127 0.80 FLT3 (0.57) KDM4ERAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL3494717 0.80 HRH4 (0.51) KDM4ERAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL6049346 0.79 SRC (0.47) KDM4ERAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL29496122 0.78 KDM4E (0.63) KDM4ERAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL318243 0.78 KDM4E (0.63) KDM4ERAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL23486667 0.78 MMP13 (0.51) KDM4ERAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL3246114 0.78 HRH3 (0.51) KDM4ERAB9AALDH1A1HPGDSMN1; 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
WO-2006034480-A2 SULFONAMIDE BICYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-03-30 WO disclosed