SCHEMBL5079958

SCHEMBL5079958

CCCCC(C(=O)OCC(C)C)C(C)OC(=O)C=Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.44
ALDH1A1 P00352 1/20 0.42
LMNA P02545 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
EGFR P00533 1/20 0.40
HDAC3 O15379 1/20 0.40
AKR1B10 O60218 2/20 0.40
AKR1B1 P15121 2/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
MMP1 P03956 1/20 0.38
RAB9A P51151 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 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
SCHEMBL5079953 1.00 TDP1 (0.44) TDP1ALDH1A1LMNAMEN1KMT2A
SCHEMBL5085913 0.93 ALDH1A1 (0.44) TDP1ALDH1A1LMNAMEN1KMT2A
SCHEMBL5085910 0.93 ALDH1A1 (0.44) TDP1ALDH1A1LMNAMEN1KMT2A
SCHEMBL5083350 0.91 ALDH1A1 (0.44) TDP1ALDH1A1LMNAMEN1KMT2A
SCHEMBL5083353 0.91 ALDH1A1 (0.44) TDP1ALDH1A1LMNAMEN1KMT2A
SCHEMBL5082182 0.88 AKR1B10 (0.46) TDP1ALDH1A1LMNAMEN1KMT2A
SCHEMBL5085874 0.88 TDP1 (0.46) TDP1ALDH1A1LMNAMEN1KMT2A
SCHEMBL5085871 0.88 TDP1 (0.46) TDP1ALDH1A1LMNAMEN1KMT2A
SCHEMBL5082178 0.88 AKR1B10 (0.46) TDP1ALDH1A1LMNAMEN1KMT2A
SCHEMBL5082194 0.88 ALDH1A1 (0.45) TDP1ALDH1A1LMNAMEN1KMT2A

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