SCHEMBL4783813

SCHEMBL4783813

CC(=O)OC(C[N+](C)(C)C)C(C)=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 4/20 0.59
TSHR P16473 3/20 0.59
CHRM2 P08172 3/20 0.59
CHRM4 P08173 3/20 0.59
TBXA2R P21731 2/20 0.59
SMN1; SMN2 Q16637 3/20 0.57
MAPT P10636 3/20 0.57
GALR3 O60755 2/20 0.57
BLM P54132 1/20 0.57
LMNA P02545 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP1A2 P05177 1/20 0.50
HRH1 P35367 1/20 0.50
CHRM5 P08912 3/20 0.42
CHRM3 P20309 3/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.39
PGR P06401 1/20 0.37
HTR1A P08908 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
Iodide SCHEMBL27443982 0.98 CHRM1 (0.57) CHRM1TSHRCHRM2CHRM4TBXA2R
Hydrochloric Acid SCHEMBL10633363 0.98 MAPT (0.61) CHRM1TSHRCHRM2CHRM4TBXA2R
Hydrochloric Acid SCHEMBL28364686 0.98 MAPT (0.61) CHRM1TSHRCHRM2CHRM4TBXA2R
Phosphoric Acid SCHEMBL29285420 0.92 CHRM1 (0.52) CHRM1TSHRCHRM2CHRM4TBXA2R
SCHEMBL28114484 0.81 MEN1 (0.51) CHRM1TSHRCHRM2CHRM4TBXA2R
SCHEMBL29613042 0.79 CHRM1 (0.47) CHRM1TSHRCHRM2CHRM4TBXA2R
Methacholine SCHEMBL1536636 0.79 TSHR (0.72) CHRM1TSHRCHRM2CHRM4TBXA2R
SCHEMBL4252480 0.79 CHRM1 (0.45) CHRM1TSHRCHRM2CHRM4TBXA2R
SCHEMBL6512446 0.77 CHRM1 (0.43) CHRM1TSHRCHRM2CHRM4TBXA2R
Bromide SCHEMBL8759877 0.77 CHRM1 (0.43) CHRM1TSHRCHRM2CHRM4TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118126843-A Monascus strain and application thereof in preparation of fermented tea 安徽德昌药业股份有限公司 2024-06-04 CN disclosed
CN-111426822-B Device and system for collecting and analyzing steam condensate, in particular exhaled gas condensate, and method of use 艾森利克斯公司 2022-12-13 CN disclosed
CN-107108837-B Thermoplastic polyurethane films for delivering active agents to skin surfaces 路博润先进材料公司 2021-04-13 CN disclosed
CN-108633304-B Device and system for collecting and analyzing steam condensate, in particular exhaled gas condensate, and method of use 艾森利克斯公司 2020-08-14 CN disclosed
WO-2008021552-A9 BIASED LIGANDS AND METHODS OF IDENTIFYING SAME UNIV DUKE (US) 2008-05-29 WO disclosed
WO-2008021552-A2 BIASED LIGANDS AND METHODS OF IDENTIFYING SAME DUKE UNIVERSITY (US) 2008-02-21 WO disclosed
US-6303588-B1 APPLYING TO PORTIONS OF THE SKIN OF SUCH PATIENT WHICH HAVE ABNORMAL SKIN CELL METABOLISM BIOACTIVE AGENT COMPRISING ADENOSINE-5-TRIPHOSPHATE, QUANOSINE-5-TRIPHOSPHATE AND PHOSPHINOSITEDES AND BIOLOGICALLY ACCEPTABLE CARRIER Danielov, Michael M. 2001-10-16 US disclosed
US-5885974-A DECREASES THE DOSAGE OF BIOACTIVE AGENT NECESSARY, WHEN ADMINISTERED TO A PATIENT WITH ABNORMAL CELL METABOLISM, TO CORRECT THE ABNORMAL CELL METABOLISM AND PROMOTE THE RESUMPTION OF NORMAL CELL METABOLISM Danielov, Michael M. (US) 1999-03-23 US disclosed
WO-1996017621-A1 CORRECTING BIOLOGICAL INFORMATION TRANSFER USING THREE BIOLOGICAL INFORMATION BLOCKS DNS SCIENTIFIC, INC. (US) 1996-06-13 WO disclosed