SCHEMBL28332007

SCHEMBL28332007

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 10/20 0.41
CHRM2 P08172 2/20 0.37
CHRM4 P08173 2/20 0.37
CHRM1 P11229 2/20 0.37
TBXA2R P21731 1/20 0.37
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM3 P20309 1/20 0.36
CYP2C9 P11712 1/20 0.36
GALR3 O60755 1/20 0.36
BLM P54132 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 4/20 0.31
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
CYP3A4 P08684 1/20 0.31
HSD17B10 Q99714 1/20 0.31
THRB P10828 2/20 0.31

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
Hydrochloric Acid SCHEMBL1667311 0.98 TSHR (0.40) TSHRCHRM2CHRM4CHRM1TBXA2R
Hydrochloric Acid SCHEMBL2988641 0.82 MAPT (0.42) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL2946080 0.81 TSHR (0.59) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL10099799 0.80 TSHR (0.47) TSHRHPGDSMN1; SMN2ALDH1A1TP53
Hydrochloric Acid SCHEMBL27782562 0.80 CHRNA7 (0.36) TSHRCHRM2CHRM1LMNACHRM3
Hydrochloric Acid SCHEMBL1238012 0.79 MAPT (0.60) TSHRCHRM2CHRM4CHRM1TBXA2R
Bromide SCHEMBL28073958 0.79 TSHR (0.57) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL18215276 0.78
SCHEMBL18215270 0.78
SCHEMBL34386 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110382775-A Wet rubbing fastness improver for cellulosic fibers, process for producing dyed cellulosic fibers using the improver, and use thereof 日东纺绩株式会社 2019-10-25 CN disclosed