SCHEMBL5157841

SCHEMBL5157841

C=C(C)C(=O)C(C[N+](C)(C)C)OP(=O)(O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM1 P11229 2/20 0.36
TBXA2R P21731 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 2/20 0.35
GALR3 O60755 1/20 0.35
BLM P54132 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.35
HRH1 P35367 1/20 0.35
SLC22A16 Q86VW1 1/20 0.33
BTN3A1 O00481 1/20 0.33
LMNA P02545 3/20 0.32
CRAT P43155 1/20 0.32
CPT2 P23786 1/20 0.32
CPT1A P50416 1/20 0.32
CHRM5 P08912 1/20 0.32

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
SCHEMBL338774 0.88 MEN1 (0.36) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL946299 0.82 BTN3A1 (0.30) BTN3A1
SCHEMBL7702001 0.78 TSHR (0.38) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL28151164 0.75 TSHR (0.37) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL28087271 0.72 TSHR (0.34) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL367873 0.72 PGK1 (0.35) TSHRCHRM2CHRM4CHRM1TBXA2R
Methacrylic Acid SCHEMBL28639504 0.71 LMNA (0.36) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL9067328 0.71 TSHR (0.38) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL14992894 0.71 SMPD1 (0.57) TSHRSMPD1
SCHEMBL2304452 0.71 TSHR (0.33) TSHRSMPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070166382-A1 Bioresponsive polymer system for delivery of microbicides UNIVERSITY OF UTAH RESEARCH FOUNDATION 2007-07-19 US disclosed
EP-1737500-A1 BIORESPONSIVE POLYMER SYSTEM FOR DELIVERY OF MICROBICIDES The University of Utah Research Foundation (US) 2007-01-03 EP disclosed
WO-2005097210-A1 BIORESPONSIVE POLYMER SYSTEM FOR DELIVERY OF MICROBICIDES THE UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2005-10-20 WO disclosed
CN-1589772-A Cosmetics HARADA CORP (JP) 2005-03-09 CN disclosed