SCHEMBL16758698

SCHEMBL16758698

CC[N+]1(C)CCCC1.Cc1ccc(S(=O)(=O)[O-])cc1

nearest known ligand 0.43

Known targets — ChEMBL curated mechanism

CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.43
ALDH1A1 P00352 4/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 2/20 0.40
CYP2D6 P10635 1/20 0.40
MAPK1 P28482 1/20 0.40
THPO P40225 1/20 0.40
POLB P06746 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ACHE P22303 1/20 0.38
TSHR P16473 1/20 0.38
PKM P14618 2/20 0.38
HTT P42858 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL16908428 0.98 CYP2C9 (0.45) CYP2C9ALDH1A1CYP3A4CYP2C19LMNA
SCHEMBL16908411 0.87 CYP2C9 (0.46) CYP2C9ALDH1A1CYP3A4CYP2C19LMNA
SCHEMBL4757145 0.86 CYP2C9 (0.54) CYP2C9ALDH1A1CYP3A4CYP2C19LMNA
SCHEMBL4078041 0.86 CYP2C9 (0.38) CYP2C9ALDH1A1CYP3A4CYP2C19LMNA
SCHEMBL16908420 0.84 CYP2C9 (0.45) CYP2C9ALDH1A1CYP3A4CYP2C19LMNA
SCHEMBL16908412 0.83 CYP2C9 (0.47) CYP2C9ALDH1A1CYP3A4CYP2C19LMNA
SCHEMBL15994842 0.82 GAA (0.45) CYP2C9ALDH1A1CYP3A4CYP2C19LMNA
SCHEMBL17144025 0.82 CHRNA7 (0.46) ALDH1A1CYP3A4MAPK1POLBKMT2A
SCHEMBL9442688 0.81 CYP2C9 (0.47) CYP2C9ALDH1A1CYP3A4CYP2C19LMNA
SCHEMBL27475946 0.79 POLB (0.50) CYP2C9ALDH1A1CYP3A4CYP2C19LMNA

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022216258-A1 METHOD FOR PREPARING GRAPHENE-DOPED CELLULOSE-BASED VASCULAR GRAFTS YILDIZ TEKNIK UNIVERSITESI (TR) 2022-10-13 WO claimed
WO-2022216258-A1 METHOD FOR PREPARING GRAPHENE-DOPED CELLULOSE-BASED VASCULAR GRAFTS YILDIZ TEKNIK UNIVERSITESI (TR) 2022-10-13 WO disclosed
EP-3042939-B1 ADHESIVE COMPOSITION TOAGOSEI CO LTD (JP) 2021-06-23 EP disclosed
US-11017957-B2 Dye-sensitized solar cell SHARP KABUSHIKI KAISHA (JP) 2021-05-25 US disclosed
CN-109415602-B 2-cyanoacrylate-based adhesive composition 东亚合成株式会社 2021-05-25 CN disclosed
US-10793749-B2 2-cyanoacrylate-based adhesive composition TOAGOSEI CO., LTD. (JP) 2020-10-06 US disclosed
EP-3042933-B1 CURABLE RESIN COMPOSITION TOAGOSEI CO LTD (JP) 2020-09-30 EP disclosed
US-20200303134-A1 DYE-SENSITIZED SOLAR CELL SHARP KABUSHIKI KAISHA (JP) 2020-09-24 US disclosed
WO-2020071553-A1 ADHESIVE COMPOSITION FOR ASSEMBLING SPEAKER, METHOD FOR ASSEMBLING SPEAKER, AND SPEAKER 東亞合成株式会社 2020-04-09 WO disclosed
EP-2896668-B1 2-CYANOACRYLATE-BASED ADHESIVE COMPOSITION TOAGOSEI CO LTD (JP) 2019-11-13 EP disclosed
US-20160208051-A1 CURABLE RESIN COMPOSITION TOAGOSEI CO., LTD. (JP) 2016-07-21 US disclosed
US-20160200951-A1 ADHESIVE COMPOSITION TOAGOSEI CO., LTD. (JP) 2016-07-14 US disclosed
EP-3042939-A1 ADHESIVE COMPOSITION Toagosei Co., Ltd. (JP) 2016-07-13 EP disclosed
EP-3042933-A1 CURABLE RESIN COMPOSITION Toagosei Co., Ltd. (JP) 2016-07-13 EP disclosed
US-9353299-B2 2-cyanoacrylate-based adhesive composition TOAGOSEI CO., LTD. (JP) 2016-05-31 US disclosed
US-20150315426-A1 ADHESIVE COMPOSITION TOAGOSEI CO., LTD. (JP) 2015-11-05 US disclosed
EP-2933302-A1 ADHESIVE COMPOSITION Toagosei Co., Ltd (JP) 2015-10-21 EP disclosed
US-20150225627-A1 2-CYANOACRYLATE-BASED ADHESIVE COMPOSITION TOAGOSEI CO., LTD. (JP) 2015-08-13 US disclosed
EP-2896668-A1 2-CYANOACRYLATE-BASED ADHESIVE COMPOSITION Toagosei Co., Ltd (JP) 2015-07-22 EP disclosed
WO-2015080296-A1 DYE-SENSITIZED SOLAR CELL RICOH COMPANY, LTD. (JP) 2015-06-04 WO disclosed