SCHEMBL6580266

SCHEMBL6580266

CC(C)COC(=O)c1cc(C(=O)OCC(C)C)cc(C(=O)OCC(C)C)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
TSHR P16473 4/20 0.59
GPR35 Q9HC97 1/20 0.53
PLA2G1B P04054 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49
SERPINE1 P05121 1/20 0.48
JMJD6 Q6NYC1 1/20 0.48
KDM4E B2RXH2 2/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL6578061 0.92 MAPT (0.53) ALDH1A1TSHRGPR35PLA2G1BATG4B
SCHEMBL20644673 0.92 CA12 (0.58) ALDH1A1TSHRGPR35PLA2G1BATG4B
SCHEMBL109308 0.88 ALDH1A1 (0.61) ALDH1A1TSHRPLA2G1BATG4BJMJD6
SCHEMBL39762 0.88 CA12 (0.63) ALDH1A1TSHRGPR35PLA2G1BATG4B
SCHEMBL110051 0.86 ALDH1A1 (0.64) ALDH1A1TSHRPLA2G1BATG4BMAPT
SCHEMBL39620 0.86 SERPINE1 (0.69) ALDH1A1TSHRSERPINE1KDM4EGAA
SCHEMBL3864388 0.86 ALDH1A1 (0.50) ALDH1A1TSHRGPR35PLA2G1BATG4B
SCHEMBL4281283 0.85 ALDH1A1 (0.49) ALDH1A1TSHRGPR35PLA2G1BATG4B
SCHEMBL20068189 0.85 ESR1 (0.58) ALDH1A1TSHRGPR35PLA2G1BATG4B
SCHEMBL27668352 0.84 ALDH1A1 (0.62) ALDH1A1TSHRPLA2G1BATG4BMAPT

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 8 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
CN-1089082-C Process for the preparation of cyclohexanedimethanol SKNJC CO LTD (KR) 2002-08-14 CN 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
CN-1223631-A Process for the preparation of cyclohexanedimethanol NEW JAPAN CHEM CO LTD (JP) 1999-07-21 CN 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