SCHEMBL6577518

SCHEMBL6577518

CC(C)CCCCCCCCCOC(=O)c1cccc(C(=O)OCCCCCCCCCC(C)C)c1C(=O)OCCCCCCCCCC(C)C

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.54
TSHR P16473 6/20 0.54
LMNA P02545 2/20 0.54
CYP3A4 P08684 2/20 0.51
MAPK1 P28482 2/20 0.51
TP53 P04637 1/20 0.51
TDP1 Q9NUW8 4/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
HSD17B10 Q99714 2/20 0.48
KDM4E B2RXH2 2/20 0.48
POLB P06746 1/20 0.48
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
RARB P10826 1/20 0.40
HTT P42858 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL7052330 1.00 ALDH1A1 (0.54) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL28038750 1.00 ALDH1A1 (0.54) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL6579666 1.00 ALDH1A1 (0.54) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL29444062 1.00 ALDH1A1 (0.54) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL6578063 0.94 ALDH1A1 (0.49) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL7056047 0.94 ALDH1A1 (0.49) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL6577380 0.94 ALDH1A1 (0.49) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL6579668 0.94 ALDH1A1 (0.49) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL4627068 0.92 TSHR (0.49) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL28453374 0.92 TSHR (0.49) ALDH1A1TSHRLMNACYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1412082-A1 METHOD FOR HYDROGENATING ORGANIC COMPOUNDS BY MEANS OF RU/SIO2 CATALYSTS BASF Aktiengesellschaft (DE) 2004-04-28 EP disclosed
EP-1314714-A2 Method for hydrogenating benzene polycarboxylic acids or derivatives thereof by using a catalyst containing macropores BASF AKTIENGESELLSCHAFT (DE) 2003-05-28 EP disclosed
EP-1042273-B1 METHOD FOR HYDROGENATING BENZENE POLYCARBOXYLIC ACIDS OR DERIVATIVES THEREOF BY USING A CATALYST CONTAINING MACROPORES BASF AG (DE) 2003-05-07 EP disclosed
WO-2002100536-A1 METHOD FOR HYDROGENATING ORGANIC COMPOUNDS BY MEANS OF RU/SIO2 CATALYSTS BASF AKTIENGESELLSCHAFT (DE) 2002-12-19 WO disclosed
EP-1042273-A1 METHOD FOR HYDROGENATING BENZENE POLYCARBOXYLIC ACIDS OR DERIVATIVES THEREOF BY USING A CATALYST CONTAINING MACROPORES BASF AKTIENGESELLSCHAFT (DE) 2000-10-11 EP disclosed
WO-1999032427-A1 METHOD FOR HYDROGENATING BENZENE POLYCARBOXYLIC ACIDS OR DERIVATIVES THEREOF BY USING A CATALYST CONTAINING MACROPORES BASF AKTIENGESELLSCHAFT (DE) 1999-07-01 WO disclosed