SCHEMBL5082902

SCHEMBL5082902

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
NPC1 O15118 2/20 0.41
POLB P06746 1/20 0.40
OPRD1 P41143 1/20 0.39
PRKCA P17252 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
RAB9A P51151 2/20 0.38
GAA P10253 1/20 0.38
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 2/20 0.37
PIN1 Q13526 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL5082873 0.90 MEN1 (0.43) LMNAMEN1KMT2ANPC1OPRD1
SCHEMBL5941263 0.89 TSHR (0.43) LMNAMEN1KMT2ANPC1PRKCA
SCHEMBL5085964 0.87 LMNA (0.47) LMNAMEN1KMT2ANPC1POLB
SCHEMBL5082885 0.86 LMNA (0.46) LMNAMEN1KMT2ANPC1POLB
SCHEMBL5082230 0.84 MEN1 (0.43) LMNAMEN1KMT2ANPC1OPRD1
SCHEMBL5082878 0.84 MEN1 (0.43) LMNAMEN1KMT2ANPC1OPRD1
SCHEMBL5082210 0.84 MEN1 (0.44) LMNAMEN1KMT2ANPC1POLB
SCHEMBL5083331 0.82 LMNA (0.43) LMNAMEN1KMT2ANPC1POLB
SCHEMBL5085847 0.82 MMP8 (0.45) LMNAMEN1KMT2ANPC1POLB
SCHEMBL5079969 0.81 LMNA (0.40) LMNAMEN1KMT2ANPC1POLB

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