SCHEMBL16237294

SCHEMBL16237294

COc1ccccc1-c1ccccc1OC(=O)C(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 7/20 0.59
MAPT P10636 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HSP90AA1 P07900 2/20 0.44
HSP90AB1 P08238 2/20 0.44
HDAC6 Q9UBN7 1/20 0.43
APP P05067 1/20 0.43
AKR1C3 P42330 2/20 0.42
AKR1C2 P52895 2/20 0.42
LMNA P02545 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41

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
SCHEMBL16239664 0.93 ELANE (0.67) ELANEMAPTNPSR1LMNA
SCHEMBL12618370 0.87 ELANE (0.65) ELANEMAPTNPSR1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL16236689 0.86 ELANE (0.56) ELANEMAPTNPSR1LMNA
SCHEMBL16236500 0.86 ELANE (0.59) ELANEMAPTNPSR1ALDH1A1KDM4E
SCHEMBL16236834 0.84 ELANE (0.57) ELANEMAPTNPSR1LMNACA1
Hydrochloric Acid SCHEMBL16236691 0.83 ELANE (0.56) ELANEMAPTNPSR1ALDH1A1HSD17B10
SCHEMBL29607284 0.82 ELANE (0.74) ELANEMAPTNPSR1ALDH1A1LMNA
SCHEMBL16236883 0.82 ELANE (0.59) ELANEMAPTNPSR1ALDH1A1KDM4E
SCHEMBL21795711 0.81 ELANE (0.63) ELANEMAPTALDH1A1KDM4EHPGD
SCHEMBL9244260 0.81 ALDH1A1 (0.50) MAPTALDH1A1KDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2997050-B1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA SRL (IT) 2018-01-17 EP disclosed
US-9714303-B2 Catalyst components for the polymerization of olefins BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2017-07-25 US disclosed
US-20160115261-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS Basell Poliolefine Italia, s.r.l. (IT) 2016-04-28 US disclosed
EP-2997050-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS Basell Poliolefine Italia S.r.l. (IT) 2016-03-23 EP disclosed
WO-2014184171-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2014-11-20 WO disclosed
EP-2803678-A1 Catalyst components for the polymerization of olefins Basell Poliolefine Italia S.r.l. (IT) 2014-11-19 EP disclosed