SCHEMBL3715221

SCHEMBL3715221

COC(=O)CC(=O)NCC(=O)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.50
TET2 Q6N021 1/20 0.42
GAA P10253 5/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
TSHR P16473 4/20 0.37
HSD17B10 Q99714 3/20 0.34
POLB P06746 1/20 0.34
POLA1 P09884 1/20 0.34
BIRC2 Q13490 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
EPHX2 P34913 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA14 Q9ULX7 1/20 0.33

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
SCHEMBL13188964 0.84 RECQL (0.57) RECQLTET2GAATSHRHSD17B10
SCHEMBL3709329 0.82 GAA (0.53) RECQLGAAMGAMSIMGAM2
SCHEMBL13188955 0.81 RECQL (0.63) RECQLTET2GAATSHRALDH1A1
SCHEMBL13246470 0.78 RECQL (0.64) RECQLTET2GAATSHRHSD17B10
SCHEMBL204758 0.77 GAA (0.50) RECQLTET2GAAMGAMSI
SCHEMBL23643337 0.76 RECQL (0.35) RECQLGAACA12CA2
SCHEMBL20802464 0.76 MEN1 (0.46) RECQLGAAALDH1A1SMN1; SMN2CA12
SCHEMBL13309270 0.76 EPHX1 (0.39) RECQLTET2TSHRHSD17B10ALDH1A1
SCHEMBL13602806 0.75 GAA (0.63) RECQLTET2GAAMGAMSI
SCHEMBL27807390 0.75 GAA (0.48) RECQLTET2GAAMGAMSI

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-2010100144-A1 FUSED BICYCLIC COMPOUNDS AS INHIBITORS FOR PI3 KINASE MERCK SERONO S.A. (CH) 2010-09-10 WO disclosed