SCHEMBL2912990

SCHEMBL2912990

CCOc1cc2c(cc1OCC)CCCC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
PDE4D Q08499 2/20 0.46
ACHE P22303 2/20 0.46
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
POLB P06746 2/20 0.41
ABCC4 O15439 1/20 0.41
ABCB11 O95342 1/20 0.41
CHRM2 P08172 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CHRM1 P11229 1/20 0.41
PTGS1 P23219 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
SCHEMBL27402907 0.87 ALDH1A1 (0.46) MAPTALDH1A1KDM4EPDE4DACHE
SCHEMBL31294898 0.81 KCNJ1 (0.40) MAPTALDH1A1KDM4EPDE4DHTT
SCHEMBL24465258 0.80 MAPT (0.52) MAPTALDH1A1KDM4EPDE4DACHE
SCHEMBL22028118 0.80 MAPT (0.52) MAPTALDH1A1KDM4EPDE4DACHE
SCHEMBL6905568 0.80 MAPT (0.52) MAPTALDH1A1KDM4EPDE4DACHE
SCHEMBL9620680 0.77 ACHE (0.51) MAPTALDH1A1PDE4DACHECYP1A2
SCHEMBL11491934 0.76 TSHR (0.58) MAPTALDH1A1KDM4EPDE4DACHE
SCHEMBL28224081 0.76 ALDH1A1 (0.51) MAPTALDH1A1KDM4ECYP1A2CYP2C9
SCHEMBL1124468 0.76 HTR2A (0.50) MAPTKDM4EPDE4DACHEGAA
SCHEMBL2836833 0.76 PDE4D (0.40) MAPTALDH1A1KDM4EPDE4DACHE

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
US-20100273641-A1 Self-Limiting Catalyst Composition with Non-Phthalate Internal Donor W. R. GRACE & CO.-CONN. 2010-10-28 US disclosed
EP-2225288-A1 SELF-LIMITING CATALYST COMPOSITION WITH BIDENTATE INTERNAL DONOR Dow Global Technologies Inc. (US) 2010-09-08 EP disclosed
WO-2009085649-A1 SELF-LIMITING CATALYST COMPOSITION WITH BIDENTATE INTERNAL DONOR DOW GLOBAL TECHNOLOGIES INC. (US) 2009-07-09 WO disclosed
US-6124507-A USED IN THE MANUFACTURE OF OLEFIN POLYMERIZATION CATALYSTS WITH PROCATALYSTS HAVING MAGNESIUM, TITANIUM AND HALIDE AS ESSENTIAL COMPONENTS. 1-ETHOXY-2-ALKOXY-4,5,6-OPTIONALLY SUBSTITUTED BENZENES UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2000-09-26 US disclosed
US-5968865-A COORDINATION CATALYST COMPRISING MAGNESIUM, TITANIUM, HALIDE, AND 1,2-DIALKOXYBENZENE COMPOUNDS; OLEFIN POLYMERIZATION CATALYSTS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1999-10-19 US disclosed
EP-0926119-A1 Dialkoxybenzene electron donors UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1999-06-30 EP disclosed