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SCHEMBL569745

SCHEMBL569745

CCCCC(C)(CC(C)OC(=O)c1ccccc1)OC(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 3/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ TSHR P16473 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ LMNA P02545 3/20 0.41
▸ SCN1A P35498 2/20 0.41
▸ SCN2A Q99250 2/20 0.41
▸ SCN3A Q9NY46 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ CTSK P43235 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ SCN5A Q14524 1/20 0.39
▸ PDCD1 Q15116 1/20 0.38

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
SCHEMBL571001 0.96 CYP2D6 (0.50) CYP2D6CYP1A2CYP2C19TSHRALDH1A1
SCHEMBL30366973 0.92 CYP2D6 (0.53) CYP2D6CYP1A2CYP2C19TSHRALDH1A1
SCHEMBL14695672 0.85 CYP2D6 (0.64) CYP2D6CYP1A2CYP2C19TSHRALDH1A1
SCHEMBL3677522 0.81 CYP2D6 (0.43) CYP2D6CYP1A2CYP2C19TSHRLMNA
SCHEMBL30396323 0.81 CYP1A2 (0.43) CYP2D6CYP1A2CYP2C19TSHRALDH1A1
SCHEMBL1073794 0.80 CYP1A2 (0.48) CYP2D6CYP1A2CYP2C19TSHRALDH1A1
SCHEMBL1769313 0.79 CYP2D6 (0.56) CYP2D6CYP1A2CYP2C19TSHRALDH1A1
SCHEMBL4577204 0.79 CYP1A2 (0.49) CYP2D6CYP1A2CYP2C19TSHRALDH1A1
SCHEMBL1070897 0.79 TSHR (0.39) CYP2D6CYP1A2CYP2C19TSHRALDH1A1
SCHEMBL30367133 0.78 CYP1A2 (0.48) CYP2D6CYP1A2CYP2C19TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114085301-B Solid catalyst component for preparing olefin polymer and application thereof 中国石油化工股份有限公司 2023-05-09 — — CN claimed
CN-114085301-B Solid catalyst component for preparing olefin polymer and application thereof 中国石油化工股份有限公司 2023-05-09 — — CN disclosed
EP-2630170-A1 CATALYST SYSTEM FOR THE POLYMERIZATION OF OLEFINS Basell Poliolefine Italia S.r.l. (IT) 2013-08-28 — — EP disclosed
EP-2630169-A1 PROCESS FOR THE POLYMERIZATION OF OLEFINS Basell Poliolefine Italia S.r.l. (IT) 2013-08-28 — — EP disclosed
EP-2630171-A1 PROCESS FOR THE PREPARATION OF HIGH PURITY PROPYLENE POLYMERS Basell Poliolefine Italia S.r.l. (IT) 2013-08-28 — — EP disclosed
EP-2601223-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS Basell Poliolefine Italia S.r.l. (IT) 2013-06-12 — — EP disclosed
CN-103154049-A Process for preparing high purity propylene polymers BASELL POLIOLEFINE SRL 2013-06-12 — — CN disclosed
CN-103154050-A Olefin Polymerization Process BASELL POLIOLEFINE SRL 2013-06-12 — — CN disclosed
CN-103052658-A Catalyst components for the polymerization of olefins BASELL POLIOLEFINE SRL 2013-04-17 — — CN disclosed
CN-103052659-A Catalyst components for the polymerization of olefins BASELL POLIOLEFINE SRL 2013-04-17 — — CN disclosed
WO-2012052389-A1 PROCESS FOR THE PREPARATION OF HIGH PURITY PROPYLENE POLYMERS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2012-04-26 — — WO disclosed
WO-2012052386-A1 PROCESS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2012-04-26 — — WO disclosed
WO-2012052387-A1 CATALYST SYSTEM FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2012-04-26 — — WO disclosed
WO-2012017038-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2012-02-09 — — WO disclosed