SCHEMBL5079332

SCHEMBL5079332

CC(C)CCC(CO)(CO)C(C)C.O=C(O)c1ccccc1-c1ccccc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 2/20 0.43
BRS3 P32247 2/20 0.43
HTT P42858 1/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPK1 P28482 1/20 0.40
MYC P01106 1/20 0.40
FOLH1 Q04609 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX12 P18054 1/20 0.39
PTPN11 Q06124 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
KCNA5 P22460 2/20 0.38
SLC25A5 P05141 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
Phthalic Acid SCHEMBL5081349 0.93 ALDH1A1 (0.44) LTB4R2BRS3HTTKDM4EALDH1A1
SCHEMBL5079328 0.88 ALDH1A1 (0.40) LTB4R2BRS3HTTKDM4EMEN1
Benzoic Acid SCHEMBL561535 0.84 MAPK1 (0.46) HTTKDM4EKMT2AHSD17B10MAPK1
Benzoic Acid SCHEMBL4577223 0.84 MAPK1 (0.46) HTTKDM4EKMT2AHSD17B10MAPK1
SCHEMBL5079331 0.81 TSHR (0.43) HTTMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL4839324 0.80 ALDH1A1 (0.46) KDM4EMEN1KMT2AALDH1A1HSD17B10
Benzoic Acid SCHEMBL29006857 0.78 MAPK1 (0.41) HTTKDM4EKMT2AHSD17B10MAPK1
Benzoyl Formic Acid SCHEMBL16045154 0.78 MAPK1 (0.41) HTTKDM4EALDH1A1HSD17B10MAPK1
SCHEMBL5081347 0.76 TSHR (0.50) HTTMEN1KMT2AALDH1A1MAPK1
Benzoic Acid SCHEMBL29415301 0.76 MAPK1 (0.40) HTTKDM4EKMT2AHSD17B10MAPK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1472293-B1 SOLID CATALYST COMPONENT FOR POLYMERIZATION OF OLEFINS, CATALYST COMPRISING THE SAME AND USE THEREOF CHINA PETROLEUM & CHEM CORP (CN) 2017-04-26 EP claimed
EP-1666505-B1 CATALYST COMPONENTS CATALYSTS FOR OLEFINIC POLYMERIZATION AND THE USE THEREOF CHINA PETROLEUM & CHEMICAL (CN) 2016-03-23 EP disclosed
US-7332455-B2 Catalyst component and catalyst for olefin polymerization as well as use thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2008-02-19 US disclosed
EP-1666505-A1 CATALYST COMPONENTS CATALYSTS FOR OLEFINIC POLYMERIZATION AND THE USE THEREOF China Petroleum & Chemical Corporation (CN) 2006-06-07 EP disclosed
US-20050119427-A1 Catalyst component and catalyst for olefin polymerization as well as use thereof BEIJING RESEARCH INSTITUTE OF CHEMICAL INDUSTRY, CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2005-06-02 US disclosed