SCHEMBL27725535

SCHEMBL27725535

CCC(=O)OCC(O)(F)c1c(CO)n(C)c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 6/20 0.39
TNF P01375 1/20 0.38
ALDH1A1 P00352 4/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
EGFR P00533 2/20 0.37
RXFP1 Q9HBX9 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
CREBBP Q92793 1/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
PKM P14618 1/20 0.35
TSHR P16473 2/20 0.34
ELANE P08246 1/20 0.34

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
SCHEMBL27725517 0.85 ALDH1A1 (0.44) SMN1; SMN2L3MBTL1KDM4EALDH1A1MAPT
SCHEMBL28776621 0.80 TP53 (0.44) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL3587313 0.77 MAPK1 (0.44) SMN1; SMN2L3MBTL1KDM4ETNFALDH1A1
SCHEMBL3593548 0.74 KMT2A (0.47) SMN1; SMN2L3MBTL1KDM4EALDH1A1MAPT
SCHEMBL27746273 0.72 KMT2A (0.47) SMN1; SMN2L3MBTL1KDM4EALDH1A1MAPT
SCHEMBL27746257 0.70 CCNT1 (0.40) SMN1; SMN2L3MBTL1KDM4EALDH1A1MAPT
SCHEMBL3596394 0.65 ALDH1A1 (0.51) SMN1; SMN2L3MBTL1KDM4ETNFALDH1A1
SCHEMBL3604201 0.64 ALDH1A1 (0.47) SMN1; SMN2L3MBTL1KDM4EALDH1A1MAPT
SCHEMBL3587646 0.63 ALDH1A1 (0.46) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL28819185 0.63 L3MBTL1 (0.68) SMN1; SMN2L3MBTL1KDM4ETNFALDH1A1

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
CN-101321726-A Novel fused pyrrole derivative DAINIPPON SUMITOMO PHARMA CO (JP) 2008-12-10 CN disclosed