SCHEMBL5083377

SCHEMBL5083377

CCC(CC(=O)OC)OC(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
TP53 P04637 1/20 0.46
LMNA P02545 3/20 0.44
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLC6A3 Q01959 1/20 0.43
CYP2D6 P10635 2/20 0.42
CYP1A2 P05177 1/20 0.42
SCN1A P35498 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN3A Q9NY46 1/20 0.42
KCNA5 P22460 1/20 0.42
POLB P06746 2/20 0.41
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41

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
SCHEMBL14700381 0.87 TSHR (0.44) TSHRKMT2AMEN1TP53LMNA
SCHEMBL14700382 0.87 TSHR (0.46) TSHRKMT2AMEN1TP53LMNA
SCHEMBL5080030 0.86 MEN1 (0.49) TSHRKMT2AMEN1TP53LMNA
SCHEMBL27536027 0.85 TSHR (0.50) TSHRKMT2AMEN1TP53LMNA
SCHEMBL28278035 0.85 ELANE (0.48) TSHRKMT2AMEN1TP53LMNA
SCHEMBL443912 0.85 TSHR (0.57) TSHRKMT2AMEN1TP53LMNA
SCHEMBL19935307 0.85 KMT2A (0.41) TSHRKMT2AMEN1TP53LMNA
SCHEMBL27593362 0.84 TSHR (0.49) TSHRKMT2AMEN1TP53LMNA
SCHEMBL14209883 0.84 TSHR (0.46) TSHRKMT2AMEN1TP53LMNA
SCHEMBL27796776 0.83 TSHR (0.47) TSHRKMT2AMEN1TP53LMNA

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-1746110-B1 CATALYST COMPONENT FOR OLEFIN POLYMERIZATION REACTION AND CATALYST THEREOF CHINA PETROLEUM & CHEMICAL (CN) 2015-03-11 EP disclosed
US-7351778-B2 Catalyst component for olefin polymerization and catalyst comprising the same CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2008-04-01 US disclosed
EP-1746110-A1 CATALYST COMPONENT FOR OLEFIN POLYMERIZATION REACTION AND CATALYST THEREOF China Petroleum & Chemical Corporation (CN) 2007-01-24 EP disclosed
US-20060287446-A1 Catalyst component for olefin polymerization and catalyst comprising the same BEIJING RESEARCH INSTITUTE OF CHEMICAL INDUSTRY CHINA PETROLEUM & CHEMICAL COPORATION (CN) 2006-12-21 US disclosed
CN-1282670-C Catalyst components for olefinic polyreaction and catalyst thereof CHINA PETROLEUM & CHEMICAL (CN) 2006-11-01 CN disclosed
CN-1690090-A Catalyst components for olefinic polyreaction and catalyst thereof SINOPEC CORP (CN) 2005-11-02 CN disclosed