SCHEMBL5665176

SCHEMBL5665176

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

nearest known ligand 0.42

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
LMNA P02545 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42
THPO P40225 1/20 0.42
KCNH2 Q12809 2/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
HIF1A Q16665 1/20 0.38
TERT O14746 4/20 0.35
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 3/20 0.35
PAX8 Q06710 1/20 0.35
BBOX1 O75936 1/20 0.34
RAB9A P51151 1/20 0.34
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34
PKM P14618 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
SCHEMBL17512914 0.89 CYP1A2 (0.38) LMNACYP2D6MAPK1CYP2C9HTT
SCHEMBL11781192 0.89 LMNA (0.40) LMNACYP2D6CYP3A4MAPK1THPO
SCHEMBL649844 0.82 CHRM1 (0.40) LMNACYP2D6CYP3A4MAPK1THPO
SCHEMBL8505186 0.79 LMNA (0.55) LMNACYP2D6CYP3A4MAPK1THPO
SCHEMBL23174612 0.79 BBOX1 (0.50) CYP2C19TERTBBOX1
SCHEMBL11781198 0.77 CYP1A2 (0.41) LMNACYP2D6MAPK1CYP2C9TSHR
Iodide SCHEMBL4254403 0.77 BBOX1 (0.48) CYP2C19TERTBBOX1
SCHEMBL15876799 0.77 ALDH1A1 (0.42) LMNACYP2D6CYP3A4MAPK1THPO
SCHEMBL8864154 0.76 LMNA (0.42) LMNACYP2D6CYP3A4MAPK1THPO
SCHEMBL23754813 0.75 LMNA (0.58) LMNACYP2D6CYP3A4MAPK1THPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10459358-B2 Method for producing a toner ZEON CORPORATION (JP) 2019-10-29 US disclosed
US-10372054-B2 Toner ZEON CORPORATION (JP) 2019-08-06 US disclosed
US-20180307149-A1 METHOD FOR PRODUCING A TONER ZEON CORPORATION (JP) 2018-10-25 US disclosed
US-10012917-B2 Toner ZEON CORPORATION (JP) 2018-07-03 US disclosed
US-20180136574-A1 TONER ZEON CORPORATION (JP) 2018-05-17 US disclosed
US-9904192-B2 Toner ZEON CORPORATION (JP) 2018-02-27 US disclosed
US-20170248856-A1 TONER ZEON CORPORATION (JP) 2017-08-31 US disclosed
US-20160246196-A1 TONER ZEON CORPORATION (JP) 2016-08-25 US disclosed
US-20160054671-A1 TONER ZEON CORPORATION (JP) 2016-02-25 US disclosed
US-20060172209-A1 Toner for developing electrostatic image and method of forming image using the same ZEON CORPORATION 2006-08-03 US disclosed