SCHEMBL4581331

SCHEMBL4581331

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

nearest known ligand 0.44

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
CYP3A4 P08684 2/20 0.44
LMNA P02545 2/20 0.44
CYP2D6 P10635 1/20 0.44
MAPK1 P28482 1/20 0.44
THPO P40225 1/20 0.44
GAA P10253 3/20 0.42
ALDH1A1 P00352 5/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GBA1 P04062 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CA2 P00918 5/20 0.39
CA9 Q16790 4/20 0.39
CA1 P00915 4/20 0.39
CA12 O43570 2/20 0.39
CA7 P43166 2/20 0.39
CA3 P07451 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39

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
SCHEMBL4581336 0.84 ALDH1A1 (0.43) CYP3A4LMNACYP2D6MAPK1GAA
Tetramethylammonium Ion SCHEMBL216795 0.80 GAA (0.56) CYP3A4LMNACYP2D6MAPK1THPO
SCHEMBL4463639 0.80 GAA (0.56) CYP3A4LMNAGAAALDH1A1CYP2C9
SCHEMBL8505186 0.79 LMNA (0.55) CYP3A4LMNACYP2D6MAPK1THPO
SCHEMBL23754813 0.79 LMNA (0.58) CYP3A4LMNACYP2D6MAPK1THPO
SCHEMBL193325 0.78 GAA (0.45) CYP3A4LMNACYP2D6MAPK1THPO
SCHEMBL29195216 0.78 GAA (0.50) CYP3A4LMNACYP2D6MAPK1THPO
SCHEMBL11656541 0.77 CA1 (0.54) CYP3A4LMNACYP2D6MAPK1THPO
SCHEMBL3363602 0.76 GAA (0.43) CYP3A4LMNACYP2D6MAPK1THPO
SCHEMBL19812378 0.76 LMNA (0.43) CYP3A4LMNACYP2D6MAPK1THPO

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
CN-101405893-A Optoelectronic device with improved efficiency GEN ELECTRIC (US) 2009-04-08 CN claimed
EP-1999804-A2 OPTO-ELECTRONIC DEVICES EXHIBITING ENHANCED EFFICIENCY GENERAL ELECTRIC COMPANY (US) 2008-12-10 EP claimed
WO-2007111763-A2 OPTO-ELECTRONIC DEVICES EXHIBITING ENHANCED EFFICIENCY GENERAL ELECTRIC COMPANY (US) 2007-10-04 WO claimed
US-20070215879-A1 Opto-electronic devices exhibiting enhanced efficiency GENERAL ELECTRIC COMPANY (US) 2007-09-20 US claimed
CN-101405893-A Optoelectronic device with improved efficiency GEN ELECTRIC (US) 2009-04-08 CN disclosed
EP-1999804-A2 OPTO-ELECTRONIC DEVICES EXHIBITING ENHANCED EFFICIENCY GENERAL ELECTRIC COMPANY (US) 2008-12-10 EP disclosed
WO-2007111763-A2 OPTO-ELECTRONIC DEVICES EXHIBITING ENHANCED EFFICIENCY GENERAL ELECTRIC COMPANY (US) 2007-10-04 WO disclosed
US-20070215879-A1 Opto-electronic devices exhibiting enhanced efficiency GENERAL ELECTRIC COMPANY (US) 2007-09-20 US disclosed