SCHEMBL570914

SCHEMBL570914

CC(C)CCC(COC(=O)c1ccccc1)COC(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
ADRB2 P07550 2/20 0.55
ADRB1 P08588 2/20 0.55
ADRB3 P13945 2/20 0.55
TSHR P16473 3/20 0.50
LMNA P02545 1/20 0.50
TDP1 Q9NUW8 2/20 0.49
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
HIF1A Q16665 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KMT2A Q03164 1/20 0.47
PLA2G1B P04054 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
SLC1A5 Q15758 1/20 0.45
PRKCA P17252 1/20 0.44
CA2 P00918 1/20 0.44
CYP3A4 P08684 1/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL5476291 0.91 ALDH1A1 (0.53) ALDH1A1ADRB2ADRB1ADRB3TSHR
SCHEMBL5486517 0.85 ALDH1A1 (0.57) ALDH1A1ADRB2ADRB1ADRB3TSHR
SCHEMBL561339 0.85 ALDH1A1 (0.61) ALDH1A1ADRB2ADRB1ADRB3TSHR
SCHEMBL570395 0.85 ALDH1A1 (0.66) ALDH1A1ADRB2ADRB1ADRB3TSHR
Benzoic Acid 2-Methylpropyl Ester SCHEMBL20530394 0.84 TSHR (0.69) ALDH1A1ADRB2ADRB1ADRB3TSHR
Benzoic Acid 2-Methylpropyl Ester SCHEMBL298176 0.84 TSHR (0.69) ALDH1A1ADRB2ADRB1ADRB3TSHR
SCHEMBL12000806 0.84 ALDH1A1 (0.74) ALDH1A1ADRB2ADRB1ADRB3TSHR
Benzoic Acid 2-Methylpropyl Ester SCHEMBL28242226 0.82 TSHR (0.67) ALDH1A1ADRB2ADRB1ADRB3TSHR
Benzoic Acid 2-Methylpropyl Ester SCHEMBL27827529 0.82 TSHR (0.67) ALDH1A1ADRB2ADRB1ADRB3TSHR
SCHEMBL570998 0.82 ALDH1A1 (0.66) ALDH1A1ADRB2ADRB1ADRB3TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601224-B1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA SRL (IT) 2018-09-19 EP disclosed
EP-2601224-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS Basell Poliolefine Italia S.r.l. (IT) 2013-06-12 EP disclosed
US-20130131290-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS Basell Poliolefine Italia, s.r.l. (IT) 2013-05-23 US disclosed
WO-2012017040-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2012-02-09 WO disclosed