SCHEMBL5699601

SCHEMBL5699601

CC(C)(C)c1cc(C(C)(C)C)c(P(c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
POLB P06746 2/20 0.37
ALDH1A1 P00352 4/20 0.36
ALOX15 P16050 3/20 0.36
CYP1A2 P05177 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
ATP2A2 P16615 1/20 0.36
ATP2A3 Q93084 1/20 0.36
HSP90AA1 P07900 1/20 0.35
CA2 P00918 2/20 0.33
TSHR P16473 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP2C9 P11712 2/20 0.33
CA1 P00915 1/20 0.33
CYP3A4 P08684 1/20 0.33
GABBR2 O75899 1/20 0.33
GABBR1 Q9UBS5 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
SCHEMBL2545977 0.80 GABRA1 (0.37) GABRA1GABRB2POLBALDH1A1ALOX15
SCHEMBL2882498 0.80 GABRA1 (0.37) GABRA1GABRB2POLBALDH1A1ALOX15
SCHEMBL29572569 0.77 CYP1A2 (0.37) GABRA1GABRB2POLBALDH1A1ALOX15
SCHEMBL28682542 0.75 GABRA1 (0.33) GABRA1GABRB2POLBALDH1A1ALOX15
SCHEMBL31439393 0.74 ALDH1A1 (0.35) ALDH1A1TDP1
SCHEMBL2548158 0.73 TSHR (0.38) GABRA1GABRB2POLBALDH1A1CYP1A2
SCHEMBL7136246 0.72 GABRA1 (0.43) GABRA1GABRB2POLBALDH1A1ALOX15
SCHEMBL13280565 0.72 GABRA1 (0.43) GABRA1GABRB2POLBALDH1A1ALOX15
SCHEMBL11357994 0.72 POLB (0.46) GABRA1GABRB2POLBALDH1A1ALOX15
SCHEMBL1171494 0.72 GABRA1 (0.43) GABRA1GABRB2POLBALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020137820-A1 Phosphorus compounds SANDOZ LTD. (CH) 2002-09-26 US claimed
EP-1691959-A2 A PROCESS FOR THE INTRODUCTION OF ADDITIVES, INTO POLYMER MELTS Bayer MaterialScience AG (DE) 2006-08-23 EP disclosed
WO-2005053926-A2 A PROCESS FOR THE INTRODUCTION OF ADDITIVES, INTO POLYMER MELTS BAYER MATERIALSCIENCE AG (DE) 2005-06-16 WO disclosed
US-20050124734-A1 Process for the introduction of additives, into polymer melts BAYER MATERIALSCIENCE AG 2005-06-09 US disclosed
US-6864304-B2 Phosphorus compounds CLARIANT FINANCE (BVI) LIMITED (VG) 2005-03-08 US disclosed
US-20020137820-A1 Phosphorus compounds SANDOZ LTD. (CH) 2002-09-26 US disclosed
US-6369140-B1 POLYOLEFIN AND PHOSPHINE OR PHOSPHORANE COMPOUNDS STABILIZERS; OXIDATION, HEAT, STRESS, AND ULTRAVIOLET RADIATION RESISTANCE CLARIANT FINANCE (BVI) LIMITED (BV) 2002-04-09 US disclosed
US-5488079-A HEAT AND LIGHT STABILIZERS FOR OLEFINS USING PHOSPHINES SANDOZ LTD. (CH) 1996-01-30 US disclosed