SCHEMBL4728759

SCHEMBL4728759

COC(=O)c1ccc(OCCCBr)c(C(=O)OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.47
ALDH1A1 P00352 7/20 0.47
HPGD P15428 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HSP90AA1 P07900 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KDM4E B2RXH2 6/20 0.46
HSD17B10 Q99714 4/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42

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
SCHEMBL2802562 0.92 CREBBP (0.48) MAPTALDH1A1HPGDSMN1; SMN2HSP90AA1
SCHEMBL14705177 0.85 MAPT (0.59) MAPTSMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL4376688 0.85 MAPT (0.59) MAPTSMN1; SMN2HSP90AA1CYP1A2CYP2C9
SCHEMBL13411871 0.84 MAPT (0.54) MAPTALDH1A1HPGDSMN1; SMN2HSP90AA1
SCHEMBL13282680 0.84 MAPT (0.46) MAPTALDH1A1HPGDSMN1; SMN2HSP90AA1
SCHEMBL2799514 0.84 MAPT (0.55) MAPTALDH1A1HPGDSMN1; SMN2HSP90AA1
SCHEMBL25293543 0.82 MAPT (0.59) MAPTCA12CA1CA2CA7
SCHEMBL5151813 0.82 MAPT (0.46) MAPTALDH1A1HPGDSMN1; SMN2HSP90AA1
SCHEMBL787576 0.82 MAPT (0.59) MAPTSMN1; SMN2HSP90AA1CYP1A2CYP2C9
SCHEMBL30506582 0.82 MAPT (0.59) MAPTCA12CA1CA2CA7

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-2008021745-A2 HEPATITIS C VIRUS ENTRY INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2008-02-21 WO disclosed