SCHEMBL2859445

SCHEMBL2859445

CCC(=O)OCC(Cl)CC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.39
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HIF1A Q16665 2/20 0.35
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
BLM P54132 1/20 0.35
WRN Q14191 1/20 0.35
MAPT P10636 1/20 0.33
LMNA P02545 2/20 0.32
ESR1 P03372 1/20 0.32
GAA P10253 2/20 0.32
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
SOAT1 P35610 1/20 0.32

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
SCHEMBL10836593 0.84 NAAA (0.38) NAAACYP3A4TSHRATMTDP1
SCHEMBL10835316 0.83 TSHR (0.46) CYP3A4TSHRATMTDP1ALDH1A1
SCHEMBL575297 0.81 ALDH1A1 (0.43) CYP3A4TSHRATMTDP1ALDH1A1
SCHEMBL27960340 0.81 ALDH1A1 (0.43) CYP3A4TSHRATMTDP1ALDH1A1
SCHEMBL10835256 0.79
SCHEMBL575298 0.79
SCHEMBL5836751 0.79
SCHEMBL8695654 0.79
SCHEMBL5388880 0.78 NAAA (0.33) NAAAALDH1A1HIF1ACYP1A2HPGD
SCHEMBL2858786 0.77 NPC1 (0.33) TSHRTDP1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103910738-A Bisbenzylisoquinoline quaternary ammonium salt as well as preparation method and application thereof in preparing antitumor drug UNIV SHANDONG NORMAL 2014-07-09 CN claimed
CN-110769855-A Compositions and methods for treating retinopathy 史蒂文·霍夫曼 2020-02-07 CN disclosed
EP-1795581-B1 LUBRICATING OIL COMPOSITION CONTAINING ACRYLIC POLYMER KURARAY CO (JP) 2018-09-19 EP disclosed
CN-103910738-A Bisbenzylisoquinoline quaternary ammonium salt as well as preparation method and application thereof in preparing antitumor drug UNIV SHANDONG NORMAL 2014-07-09 CN disclosed
CN-103910741-A Bisbenzylisoquinoline betaine as well as preparation method thereof and application thereof in preparation of anti-tumor medicament UNIV SHANDONG NORMAL 2014-07-09 CN disclosed
EP-1857471-B1 POLYMERIZATION CATALYST COMPOSITION AND PROCESS FOR PRODUCTION OF POLYMER MITSUI CHEMICALS INC (JP) 2013-04-24 EP disclosed
US-7718588-B2 Lubricating oil additive containing acrylic polymer and lubricating oil compositions KURARAY CO., LTD. (JP) 2010-05-18 US disclosed
US-20080058234-A1 Lubricating Oil Additive Containing Acrylic Polymer and Lubricating Oil Compositions KURARAY CO., LTD. (JP) 2008-03-06 US disclosed
EP-1857471-A1 POLYMERIZATION CATALYST COMPOSITION AND PROCESS FOR PRODUCTION OF POLYMER Mitsui Chemicals, Inc. (JP) 2007-11-21 EP disclosed
EP-1795581-A1 LUBRICATING OIL ADDITIVE CONTAINING ACRYLIC POLYMER AND LUBRICATING OIL COMPOSITIONS KURARAY CO., LTD. (JP) 2007-06-13 EP disclosed
US-4568759-A Preparation of epoxides THE DOW CHEMICAL COMPANY (US) 1986-02-04 US disclosed