SCHEMBL5082882

SCHEMBL5082882

CCCC(C(=O)OCC(C)C)C(C)OC(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
LMNA P02545 3/20 0.45
TSHR P16473 2/20 0.45
PLA2G1B P04054 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
RAB9A P51151 2/20 0.42
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
TP53 P04637 1/20 0.41
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PRKCA P17252 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 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
SCHEMBL5083433 0.92 MEN1 (0.44) ALDH1A1LMNATSHRPLA2G1BATG4B
SCHEMBL5082861 0.89 LMNA (0.47) ALDH1A1LMNATSHRRAB9AADRB2
SCHEMBL5085942 0.89 ALDH1A1 (0.47) ALDH1A1LMNATSHRPLA2G1BATG4B
SCHEMBL5079977 0.86 LMNA (0.47) ALDH1A1LMNATSHRRAB9AADRB2
SCHEMBL5079860 0.86 TSHR (0.47) ALDH1A1LMNATSHRPLA2G1BATG4B
SCHEMBL5079972 0.86 PDCD1 (0.49) ALDH1A1LMNATSHRRAB9AADRB2
SCHEMBL5941367 0.84 TSHR (0.50) ALDH1A1LMNATSHRRAB9ATP53
SCHEMBL5082172 0.84 KMT2A (0.46) ALDH1A1LMNATSHRPLA2G1BATG4B
SCHEMBL5083437 0.82 ALDH1A1 (0.43) ALDH1A1LMNATSHRPLA2G1BATG4B
SCHEMBL5085911 0.81 TSHR (0.51) ALDH1A1LMNATSHRPLA2G1BATG4B

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