SCHEMBL3705477

SCHEMBL3705477

COc1cccc(CCN2C(=O)C(O)=C(C(C)=O)C2c2ccc(Br)cc2)c1.COc1ccccc1CCN1C(=O)C(O)=C(C(C)=O)C1c1ccc(Br)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.61
POLB P06746 1/20 0.61
USP7 Q93009 1/20 0.58
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
ALDH1A1 P00352 2/20 0.54
TP53 P04637 1/20 0.49
MDM2 Q00987 1/20 0.49
FPR1 P21462 2/20 0.49
KDM4E B2RXH2 1/20 0.49
RXFP1 Q9HBX9 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GAA P10253 2/20 0.48
HSD17B10 Q99714 1/20 0.48
HIF1A Q16665 2/20 0.48
HTT P42858 2/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.47

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
SCHEMBL3706362 0.93 USP7 (0.67) ALOX15POLBUSP7LMNASMN1; SMN2
SCHEMBL29619258 0.93 USP7 (0.67) ALOX15POLBUSP7LMNASMN1; SMN2
SCHEMBL3708643 0.90 MEN1 (0.61) ALOX15POLBUSP7LMNASMN1; SMN2
SCHEMBL3706264 0.90 MEN1 (0.60) ALOX15POLBUSP7LMNASMN1; SMN2
SCHEMBL3707736 0.85 ALOX15 (0.59) ALOX15POLBUSP7LMNASMN1; SMN2
SCHEMBL16904825 0.84 ALOX15 (0.63) ALOX15POLBUSP7LMNASMN1; SMN2
SCHEMBL6781400 0.83 MEN1 (0.72) ALOX15POLBUSP7SMN1; SMN2MEN1
SCHEMBL3714413 0.82 USP7 (0.73) ALOX15POLBUSP7LMNASMN1; SMN2
SCHEMBL15563413 0.82 ALOX15 (0.60) ALOX15POLBUSP7LMNASMN1; SMN2
SCHEMBL3706307 0.81 USP7 (0.69) ALOX15POLBUSP7LMNASMN1; 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-2010081783-A1 NOVEL SPECIFIC INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 7, THE PHARMACEUTICAL COMPOSITIONS THEREOF AND THEIR THERAPEUTIC APPLICATIONS HYBRIGENICS SA (FR) 2010-07-22 WO claimed