SCHEMBL437118

SCHEMBL437118

COc1ccc(OC(=O)C(C)(C)Br)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 9/20 0.53
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
CA12 O43570 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPT P10636 2/20 0.46
GSK3B P49841 1/20 0.46
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL16417774 0.91 MAPT (0.46) ELANECES2CES1CA1CA2
SCHEMBL14012162 0.85 ELANE (0.55) ELANE
SCHEMBL11596680 0.85 ELANE (0.73) ELANECES2CES1CA1CA2
SCHEMBL9954037 0.83 ELANE (0.70) ELANECES2CES1CA1CA2
SCHEMBL15431761 0.83 ALDH1A1 (0.46) ELANECA1CA2SMN1; SMN2CYP1A2
SCHEMBL3308809 0.82 ELANE (0.52) ELANEMAPTMAPK1RAB9AKMT2A
SCHEMBL28985550 0.82 ELANE (0.52) ELANELMNAMAPTRAB9A
SCHEMBL10778751 0.82 ELANE (0.64) ELANELMNASMN1; SMN2CYP1A2CYP2C9
SCHEMBL1197149 0.82 ELANE (0.52) ELANESMN1; SMN2MAPTMEN1RAB9A
SCHEMBL833149 0.81 ELANE (0.55) ELANEMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2596062-B1 SET-LRP POLYMERIZATION OF ACRYLATES IN THE PRESENCE OF ACIDS ROHM & HAAS (US) 2019-09-18 EP disclosed
US-10273314-B2 Set-LRP polymerization of acrylates in the presence of acids ROHM AND HAAS COMPANY (US) 2019-04-30 US disclosed
US-20130245216-A1 SET-LRP POLYMERIZATION OF ACRYLATES IN THE PRESENCE OF ACIDS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2013-09-19 US disclosed
EP-2596062-A1 SET-LRP POLYMERIZATION OF ACRYLATES IN THE PRESENCE OF ACIDS Rohm and Haas Company (US) 2013-05-29 EP disclosed
WO-2012012705-A1 SET-LRP POLYMERIZATION OF ACRYLATES IN THE PRESENCE OF ACIDS ROHM AND HAAS COMPANY (US) 2012-01-26 WO disclosed