SCHEMBL3679517

SCHEMBL3679517

COC1(c2ccccc2)CCOC1=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KCNA3 P22001 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
MAP3K14 Q99558 1/20 0.35
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 2/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
SIRT1 Q96EB6 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
SCHEMBL30211173 0.82 SMN1; SMN2 (0.42) MEN1KMT2ASMN1; SMN2CYP3A4CYP2C19
SCHEMBL9850087 0.78 SIGMAR1 (0.41) MEN1KMT2AALDH1A1CYP3A4SIRT1
SCHEMBL3678845 0.76 KCNA3 (0.36) CYP2C9MEN1KMT2AKCNA3SMN1; SMN2
SCHEMBL9850089 0.74 ATM (0.40) CYP2C9MEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL576440 0.73 MMP2 (0.40) CYP2C9MEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL14350785 0.73 MMP2 (0.40) CYP2C9MEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL577105 0.72 MEN1 (0.41) CYP2C9MEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL28589027 0.71 OPRM1 (0.50) KMT2AKCNA3MAPK1ALDH1A1
SCHEMBL28034658 0.69 MEN1 (0.38) CYP2C9MEN1KMT2ASMN1; SMN2MAPK1
SCHEMBL28591333 0.69 L3MBTL1 (0.42) MEN1KMT2AKCNA3SMN1; SMN2ALDH1A1

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 3 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
US-20090118446-A1 Components and catalysts for the polymerization of olefins BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2009-05-07 US disclosed