SCHEMBL3678845

SCHEMBL3678845

COCC1(c2ccccc2)CCOC1=O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ATM Q13315 1/20 0.35
CYP2C19 P33261 3/20 0.34
CYP2C9 P11712 3/20 0.34
CYP3A4 P08684 2/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 1/20 0.33
ALDH1A1 P00352 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33

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
SCHEMBL16915056 0.82 MEN1 (0.40) MAPK1SMN1; SMN2MEN1KMT2ACYP2C19
SCHEMBL3679517 0.76 CYP2C9 (0.35) KCNA3MAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL4470421 0.73 HTT (0.38) MEN1KMT2AATMCYP2C19CYP2C9
SCHEMBL31098894 0.70 CYP19A1 (0.49) MEN1KMT2ACYP3A4TSHRALDH1A1
SCHEMBL576440 0.69 MMP2 (0.40) MAPK1SMN1; SMN2MEN1KMT2ACYP2C9
SCHEMBL14350785 0.69 MMP2 (0.40) MAPK1SMN1; SMN2MEN1KMT2ACYP2C9
SCHEMBL30211173 0.69 SMN1; SMN2 (0.42) SMN1; SMN2MEN1KMT2ACYP2C19CYP3A4
SCHEMBL7488740 0.69 OPRM1 (0.40)
SCHEMBL577105 0.69 MEN1 (0.41) MAPK1SMN1; SMN2MEN1KMT2ACYP2C9
SCHEMBL28589027 0.68 OPRM1 (0.50) KCNA3MAPK1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7674741-B2 Components and catalysts for the polymerization of olefins BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2010-03-09 US disclosed
EP-1756172-B1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE SRL (IT) 2009-11-04 EP disclosed
CN-100519592-C catalyst component and catalyst for olefin polymerization BASELL POLIOLEFINE SRL (IT) 2009-07-29 CN disclosed
US-20090118446-A1 Components and catalysts for the polymerization of olefins BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2009-05-07 US disclosed
CN-1968974-A Catalyst component and catalyst for olefin polymerization BASELL POLIOLEFINE SRL (IT) 2007-05-23 CN disclosed
EP-1756172-A2 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS Basell Poliolefine Italia S.r.l. (IT) 2007-02-28 EP disclosed
WO-2005123784-A2 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2005-12-29 WO disclosed