SCHEMBL8435356

SCHEMBL8435356

CS(=O)(=O)OCCCCCCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
USP2 O75604 1/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
MMP9 P14780 1/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
POLB P06746 1/20 0.50
CA2 P00918 2/20 0.49
CA1 P00915 1/20 0.49
CA9 Q16790 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SIGMAR1 Q99720 3/20 0.46
MAPT P10636 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL6041286 1.00 KDM4E (0.54) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL23014971 1.00 KDM4E (0.54) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL2658522 0.98 KDM4E (0.56) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL10390508 0.96 KDM4E (0.54) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL9574195 0.95 TDP1 (0.50) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL491533 0.93 POLB (0.53) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL10390178 0.88 TDP1 (0.47) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL8889394 0.87 MGLL (0.64) TDP1L3MBTL1
SCHEMBL3438747 0.86 POLB (0.47) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL5757576 0.85 MGLL (0.61) TDP1L3MBTL1

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-5998433-A THERAPY FOR HYPERLIPIDEMIA; ATHEROSCLEROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-12-07 US disclosed
CN-1160403-A Substd. heterobicyclic alkyl amines and their use as squalene oxide cyclase inhibitors TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-09-24 CN disclosed
EP-0785939-A1 SUBSTITUTED HETEROBICYCLIC ALKYL AMINES AND THEIR USE AS SQUALENE OXIDE CYCLASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 1997-07-30 EP disclosed
US-5561143-A ANTICHOLESTEROL AGENTS, ANTILIPEMIC AGENTS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-10-01 US disclosed
US-5534532-A ANTICHOLESTEROL AGENTS, SQUALENE SYNTHASE INHIBITOR RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-07-09 US disclosed
WO-1996011201-A1 SUBSTITUTED HETEROBICYCLIC ALKYL AMINES AND THEIR USE AS SQUALENE OXIDE CYCLASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-04-18 WO disclosed
US-5455260-A Anticholesterol agents; reduction of serum cholesterol without reducing mevalonic metabolite synthesis; side effect RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1995-10-03 US disclosed
WO-1994027601-A1 ALIPHATIC AMINO BIS-ARYL SQUALENE SYNTHASE INHIBITORS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1994-12-08 WO disclosed