SCHEMBL3735925

SCHEMBL3735925

CC[N+](CC)(CC)CC=Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ THPO P40225 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ MTOR P42345 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ KDM4E B2RXH2 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ GMNN O75496 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ BLM P54132 1/20 0.50
▸ PMP22 Q01453 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ CHRNA7 P36544 6/20 0.49
▸ MAPT P10636 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ ALOX15 P16050 1/20 0.49

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
SCHEMBL2744951 0.80 HTR2A (0.50) RAB9AALDH1A1LMNACHRNA7MEN1
Hydrochloric Acid SCHEMBL9615591 0.80 CHRNA7 (0.43) CYP1A2CYP3A4THPOHIF1AMTOR
SCHEMBL5168468 0.78 CHRM2 (0.51) MTORALDH1A1LMNACHRNA7MEN1
SCHEMBL12970937 0.78 CHRM2 (0.51) MTORALDH1A1LMNACHRNA7MEN1
Hydrogen Sulfide SCHEMBL28289964 0.78 HTR2A (0.52) CYP1A2CYP3A4THPOHIF1AMTOR
Hydrochloric Acid SCHEMBL8070163 0.77 CHRNA7 (0.47) SMN1; SMN2CHRNA7MEN1TP53KMT2A
Hydrochloric Acid SCHEMBL8660307 0.77 CHRNA7 (0.47) SMN1; SMN2CHRNA7MEN1TP53KMT2A
Tetrylammonium SCHEMBL5280951 0.77 CYP1A2 (0.53) CYP1A2CYP3A4THPOHIF1AMTOR
Water SCHEMBL7807739 0.77 CHRM2 (0.50) ALDH1A1LMNACHRNA7MEN1KMT2A
Hydrochloric Acid SCHEMBL8197750 0.77 CHRM2 (0.50) RAB9AKDM4EALDH1A1LMNACHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765863-B2 Triethylamine functionalized elastomer in barrier applications EXXONMOBIL CHEMICAL PATENTS INC. (US) 2014-07-01 — — US disclosed
US-20100210779-A1 Triethylamine Functionalized Elastomer in Barrier Applications EXXONMOBIL CHEMICAL PATENTS, INC. (US) 2010-08-19 — — US disclosed
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