SCHEMBL5082113

SCHEMBL5082113

COC(=O)C(CC(C)C)C(C)OC(=O)C=Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NOS3 P29474 3/20 0.44
NOS1 P29475 3/20 0.44
NOS2 P35228 3/20 0.44
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
MMP1 P03956 1/20 0.44
AKR1B10 O60218 2/20 0.44
AKR1B1 P15121 2/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
ATM Q13315 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
SCHEMBL5082109 1.00 ALDH1A1 (0.46) ALDH1A1LMNAMEN1KMT2ANOS3
SCHEMBL5082110 0.90 AKR1B10 (0.49) ALDH1A1LMNAMEN1KMT2AMMP1
SCHEMBL5082114 0.90 AKR1B10 (0.49) ALDH1A1LMNAMEN1KMT2AMMP1
SCHEMBL5083481 0.89 ALDH1A1 (0.45) ALDH1A1LMNAMEN1KMT2AMMP1
SCHEMBL5083388 0.89 ALDH1A1 (0.45) ALDH1A1LMNAMEN1KMT2AMMP1
SCHEMBL5083381 0.89 ALDH1A1 (0.45) ALDH1A1LMNAMEN1KMT2AMMP1
SCHEMBL5083486 0.89 ALDH1A1 (0.45) ALDH1A1LMNAMEN1KMT2AMMP1
SCHEMBL5083395 0.88 ALDH1A1 (0.47) ALDH1A1LMNAMEN1KMT2ANOS3
SCHEMBL5083403 0.88 ALDH1A1 (0.47) ALDH1A1LMNAMEN1KMT2ANOS3
SCHEMBL5941397 0.88 KMT2A (0.47) ALDH1A1LMNAMEN1KMT2AMMP1

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 3 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