SCHEMBL7961682

SCHEMBL7961682

COc1ccc(C[C@H](N)C(=O)N2CCOCC2)cc1.O=C(O)c1cc2ccccc2n1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.46
AKT2 P31751 1/20 0.46
AKT3 Q9Y243 1/20 0.46
PIK3CD O00329 3/20 0.43
PIK3CA P42336 2/20 0.43
PIK3CB P42338 2/20 0.43
PIK3CG P48736 1/20 0.43
HPGD P15428 2/20 0.42
HTT P42858 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
FKBP1A P62942 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
HIF1A Q16665 1/20 0.42
EPAS1 Q99814 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MITF O75030 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
SCHEMBL6164711 0.82 FKBP1A (0.59) AKT1AKT2AKT3HPGDALDH1A1
SCHEMBL6162739 0.82 FKBP1A (0.59) AKT1AKT2AKT3HPGDALDH1A1
5-Chloroindole-2-Carboxylic Acid SCHEMBL6162973 0.75 CYP51A1 (0.57) KDM4EALDH1A1MAPT
SCHEMBL6163356 0.74 HDAC8 (0.64) AKT1AKT2AKT3PIK3CDPIK3CA
SCHEMBL6052947 0.74 HDAC8 (0.64) AKT1AKT2AKT3PIK3CDPIK3CA
Hydrochloric Acid SCHEMBL6350961 0.73 HDAC8 (0.65) AKT1AKT2AKT3PIK3CDPIK3CA
Hydrochloric Acid SCHEMBL8307855 0.73 HDAC8 (0.65) AKT1AKT2AKT3PIK3CDPIK3CA
SCHEMBL14311579 0.72 DPP7 (0.61) AKT1AKT2AKT3HPGDHTT
SCHEMBL5129878 0.72 TSHR (0.45) HPGDALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL6160377 0.71 AKT1 (0.60) AKT1AKT2AKT3HPGDKDM4E

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-6277877-B1 GLYCOGEN PHOSPHORYLASE INHIBITOR; ANTIDIABETIC AGENTS PFIZER, INC. 2001-08-21 US disclosed