SCHEMBL7526556

SCHEMBL7526556

COc1cc(C(C)(C)C)cc2c1-c1ccc(C(C)(C)C)cc1C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 2/20 0.37
CYP3A4 P08684 1/20 0.37
ELANE P08246 1/20 0.35
CD69 Q07108 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
DHODH Q02127 3/20 0.34
PTGS2 P35354 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
NPC1 O15118 1/20 0.33
PLA2G1B P04054 1/20 0.33
NFKB1 P19838 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 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
SCHEMBL5437344 0.80 ALDH1A1 (0.37) ALDH1A1MAPTELANECD69HPGD
SCHEMBL8854732 0.79 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2MAPTDHODHLMNA
SCHEMBL3888554 0.78 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2MAPTELANECD69
SCHEMBL30430052 0.78 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2MAPTELANECD69
SCHEMBL25633605 0.78 ELANE (0.36) ALDH1A1MAPTELANECD69HPGD
SCHEMBL5820431 0.78 ALDH1A1 (0.35) ALDH1A1MAPTELANECD69HPGD
SCHEMBL40372 0.77 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2MAPTELANECD69
SCHEMBL29459210 0.77 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2MAPTELANECD69
SCHEMBL5820049 0.76 KIF11 (0.38) ALDH1A1SMN1; SMN2ELANECD69LMNA
SCHEMBL33527886 0.76 METAP1 (0.50) ALDH1A1MAPTCYP3A4CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019188644-A1 TRANSITION METAL COMPOUND, CATALYST FOR OLEFIN POLYMERIZATION AND METHOD FOR PRODUCING OLEFIN POLYMER 三井化学株式会社 2019-10-03 WO disclosed
EP-0773238-B1 Method for controlling the melting points and molecular weights of syndiotactic polyolefins using metallocene catalyst systems FINA TECHNOLOGY (US) 2002-03-20 EP disclosed
EP-0773239-B1 Method for controlling the melting points and molecular weights of syndiotactic polyolefins using metallocene catalyst systems FINA TECHNOLOGY (US) 2001-12-05 EP disclosed
EP-0577581-B1 Method for controlling the melting points and molecular weights of syndiotactic polyolefins using metallocene catalyst systems FINA TECHNOLOGY (US) 2000-07-05 EP disclosed
US-5710222-A CATALYTIC POLYMERIZATION OF PROPYLENE WITH METALLOCENE COMPOUND WITH GROUP IVB METAL AND EXTRATION FINA TECHNOLOGY, INC. (US) 1998-01-20 US disclosed
US-5688735-A COORDINATION CATALYST FINA TECHNOLOGY, INC. (US) 1997-11-18 US disclosed
EP-0773239-A2 Method for controlling the melting points and molecular weights of syndiotactic polyolefins using metallocene catalyst systems FINA TECHNOLOGY, INC. (US) 1997-05-14 EP disclosed
EP-0773238-A2 Method for controlling the melting points and molecular weights of syndiotactic polyolefins using metallocene catalyst systems FINA TECHNOLOGY, INC. (US) 1997-05-14 EP disclosed
EP-0577581-A2 Method for controlling the melting points and molecular weights of syndiotactic polyolefins using metallocene catalyst systems FINA TECHNOLOGY, INC. (US) 1994-01-05 EP disclosed