SCHEMBL1989679

SCHEMBL1989679

COc1ccc(C(=O)O)c(CCC(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.46
HPGD P15428 1/20 0.46
TP53 P04637 1/20 0.46
AKR1C3 P42330 8/20 0.46
AKR1C2 P52895 8/20 0.46
HSD17B10 Q99714 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL1985353 0.84 GAA (0.51) TP53AKR1C3AKR1C2HSD17B10SMN1; SMN2
SCHEMBL8627436 0.83 HPSE (0.50) FOLH1AKR1C3AKR1C2HSD17B10SMN1; SMN2
SCHEMBL1988245 0.83 AKR1C3 (0.49) FOLH1HPGDAKR1C3AKR1C2HSD17B10
SCHEMBL4294900 0.83 SMN1; SMN2 (0.53) FOLH1HPGDAKR1C3AKR1C2HSD17B10
SCHEMBL8050755 0.81 GRIN2D (0.51) HSD17B10SMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL2317055 0.81 AKR1C3 (0.50) HPGDAKR1C3AKR1C2HSD17B10SMN1; SMN2
SCHEMBL687106 0.80 KDM4E (0.53) HPGDAKR1C3AKR1C2HSD17B10SMN1; SMN2
SCHEMBL1990568 0.80 HPSE (0.51) AKR1C3AKR1C2HSD17B10SMN1; SMN2KDM4E
SCHEMBL11032706 0.80 CA12 (0.47) HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL8478029 0.79 KDM4E (0.51) HPGDAKR1C3AKR1C2HSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2516479-B1 NEW INTERNAL AND EXTERNAL DONOR COMPOUNDS FOR OLEFIN POLYMERIZATION CATALYSTS BASF CORP (US) 2016-04-20 EP claimed
EP-2516479-A2 NEW INTERNAL AND EXTERNAL DONOR COMPOUNDS FOR OLEFIN POLYMERIZATION CATALYSTS BASF Corporation (US) 2012-10-31 EP claimed
US-8211819-B2 Internal and external donor compounds for olefin polymerization catalysts BASF CORPORATION (US) 2012-07-03 US claimed
WO-2011084691-A2 NEW INTERNAL AND EXTERNAL DONOR COMPOUNDS FOR OLEFIN POLYMERIZATION CATALYSTS BASF CORPORATION (US) 2011-07-14 WO claimed
US-20110152481-A1 Internal and external donor compounds for olefin polymerization catalysts BASF CATALYSTS LLC (US) 2011-06-23 US claimed
EP-2516479-B1 NEW INTERNAL AND EXTERNAL DONOR COMPOUNDS FOR OLEFIN POLYMERIZATION CATALYSTS BASF CORP (US) 2016-04-20 EP disclosed
EP-2516479-A2 NEW INTERNAL AND EXTERNAL DONOR COMPOUNDS FOR OLEFIN POLYMERIZATION CATALYSTS BASF Corporation (US) 2012-10-31 EP disclosed
US-8211819-B2 Internal and external donor compounds for olefin polymerization catalysts BASF CORPORATION (US) 2012-07-03 US disclosed
WO-2011084691-A2 NEW INTERNAL AND EXTERNAL DONOR COMPOUNDS FOR OLEFIN POLYMERIZATION CATALYSTS BASF CORPORATION (US) 2011-07-14 WO disclosed
US-20110152481-A1 Internal and external donor compounds for olefin polymerization catalysts BASF CATALYSTS LLC (US) 2011-06-23 US disclosed