SCHEMBL11530697

SCHEMBL11530697

CCC(C)CC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.62
SMN1; SMN2 Q16637 5/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
HPGD P15428 2/20 0.59
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 3/20 0.54
AGTR1 P30556 1/20 0.54
PTPN1 P18031 1/20 0.53
GSK3B P49841 1/20 0.53
USP2 O75604 1/20 0.53
RAB9A P51151 4/20 0.51
FFAR1 O14842 1/20 0.51
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
HIF1A Q16665 1/20 0.51
ERCC5 P28715 1/20 0.50
FEN1 P39748 1/20 0.50
HAO1 Q9UJM8 1/20 0.50
NPC1 O15118 4/20 0.49
PDCD1 Q15116 1/20 0.49

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
SCHEMBL12158744 0.89 TSHR (0.57) MAPTSMN1; SMN2L3MBTL1HPGDALDH1A1
SCHEMBL9225409 0.89 TSHR (0.57) MAPTSMN1; SMN2L3MBTL1HPGDALDH1A1
SCHEMBL11871072 0.86 SMN1; SMN2 (0.58) MAPTSMN1; SMN2L3MBTL1HPGDALDH1A1
SCHEMBL11373953 0.85 HAO1 (0.50) MAPTSMN1; SMN2L3MBTL1HPGDALDH1A1
SCHEMBL2739301 0.84 MAPT (0.63) MAPTSMN1; SMN2L3MBTL1HPGDALDH1A1
SCHEMBL4559589 0.82 SMN1; SMN2 (0.61) MAPTSMN1; SMN2L3MBTL1HPGDALDH1A1
SCHEMBL11763415 0.81 SMN1; SMN2 (0.59) MAPTSMN1; SMN2L3MBTL1HPGDALDH1A1
Metbufen SCHEMBL2111106 0.81 SMN1; SMN2 (0.59) MAPTSMN1; SMN2L3MBTL1HPGDALDH1A1
SCHEMBL5959979 0.79 MAPT (0.74) MAPTSMN1; SMN2L3MBTL1HPGDALDH1A1
SCHEMBL8537118 0.78 PTPN1 (0.66) MAPTSMN1; SMN2L3MBTL1HPGDALDH1A1

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-4149413-A THERMOCHROMIC THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHER IRELAND (GB) 1979-04-17 US disclosed