SCHEMBL6058447

SCHEMBL6058447

CC(C)CCOC(=O)c1sccc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
GAA P10253 2/20 0.43
HPGD P15428 2/20 0.43
GLA P06280 1/20 0.43
PKM P14618 3/20 0.43
HSD17B10 Q99714 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 2/20 0.40
CYP19A1 P11511 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
PPARG P37231 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38

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
SCHEMBL5078845 0.91 PKM (0.44) MAPK1KDM4EALDH1A1GAAHPGD
SCHEMBL2996635 0.81 TSHR (0.53) MAPK1KDM4EALDH1A1GAAHPGD
SCHEMBL5239795 0.80 MAPK8 (0.51) MAPK1KDM4EALDH1A1GAAHPGD
SCHEMBL6059022 0.75 ALDH1A1 (0.43) MAPK1KDM4EALDH1A1GAAHPGD
SCHEMBL5077043 0.75 ALDH1A1 (0.59) KDM4EALDH1A1HPGDGLAPKM
SCHEMBL7059436 0.75 ALDH1A1 (0.59) MAPK1KDM4EALDH1A1PKMHSD17B10
SCHEMBL28407232 0.74 ALDH1A1 (0.50) MAPK1KDM4EALDH1A1GAAPKM
SCHEMBL1973549 0.74 KDM4E (0.57) MAPK1KDM4EALDH1A1GAAHPGD
Ethane SCHEMBL28902205 0.74 ALDH1A1 (0.57) MAPK1KDM4EALDH1A1PKMHSD17B10
SCHEMBL698811 0.73 ALDH1A1 (0.51) MAPK1KDM4EALDH1A1GAAHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678218-A1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS Basell Poliolefine Italia S.r.l. (IT) 2006-07-12 EP disclosed
WO-2005047351-A1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2005-05-26 WO disclosed