SCHEMBL5085874

SCHEMBL5085874

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.46
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
EGFR P00533 1/20 0.44
HDAC3 O15379 1/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MMP1 P03956 1/20 0.42
AKR1B10 O60218 2/20 0.41
AKR1B1 P15121 2/20 0.41
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL5085871 1.00 TDP1 (0.46) TDP1TAS1R3TAS1R1EGFRHDAC3
SCHEMBL5083397 0.93 ALDH1A1 (0.45) TDP1TAS1R3TAS1R1EGFRALDH1A1
SCHEMBL5083402 0.93 ALDH1A1 (0.45) TDP1TAS1R3TAS1R1EGFRALDH1A1
SCHEMBL5083350 0.91 ALDH1A1 (0.44) TDP1EGFRHDAC3ALDH1A1LMNA
SCHEMBL5083353 0.91 ALDH1A1 (0.44) TDP1EGFRHDAC3ALDH1A1LMNA
SCHEMBL5082182 0.91 AKR1B10 (0.46) TDP1TAS1R3TAS1R1EGFRHDAC3
SCHEMBL5082178 0.91 AKR1B10 (0.46) TDP1TAS1R3TAS1R1EGFRHDAC3
SCHEMBL5941235 0.89 KMT2A (0.45) TDP1EGFRHDAC3ALDH1A1LMNA
SCHEMBL5941231 0.89 KMT2A (0.45) TDP1EGFRHDAC3ALDH1A1LMNA
SCHEMBL5079953 0.88 TDP1 (0.44) TDP1EGFRHDAC3ALDH1A1LMNA

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 4 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