SCHEMBL7702001

SCHEMBL7702001

C=C(C)C(=O)C(C[N+](C)(C)C)O[PH-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM1 P11229 2/20 0.38
TBXA2R P21731 1/20 0.38
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GALR3 O60755 1/20 0.37
BLM P54132 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 1/20 0.37
HRH1 P35367 1/20 0.37
SLC22A16 Q86VW1 1/20 0.35
LMNA P02545 3/20 0.33
CPT2 P23786 1/20 0.33
CPT1A P50416 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM3 P20309 1/20 0.33
CRAT P43155 1/20 0.33

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
SCHEMBL5157841 0.78 TSHR (0.36) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL338774 0.74 MEN1 (0.36) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL946299 0.72 BTN3A1 (0.30)
SCHEMBL718907 0.71 SLC22A16 (0.45) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL7950629 0.70 MEN1 (0.31) SMN1; SMN2MEN1KMT2ACYP1A2HRH1
Water SCHEMBL16341077 0.69 SLC22A16 (0.43) TSHRCHRM2CHRM4CHRM1TBXA2R
Hydrochloric Acid SCHEMBL719321 0.69 MAPT (0.43) TSHRCHRM2CHRM4CHRM1TBXA2R
Hydrochloric Acid SCHEMBL9580738 0.69 SLC22A16 (0.43) TSHRCHRM2CHRM4CHRM1TBXA2R
Iodide SCHEMBL10588910 0.69 SLC22A16 (0.43) TSHRCHRM2CHRM4CHRM1TBXA2R
Hydrochloric Acid SCHEMBL29278201 0.69 MAPT (0.45) TSHRCHRM2CHRM4CHRM1TBXA2R

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-6340677-B1 APPLYING PREPARATION TO SKIN SITE, AND EVALUATING UNDER A MICROSCOPE CHANGE IN DEGREE OF ORDER OF DERMIS COLLAGEN FIBER BUNDLES AT SKIN SITE BEFORE AND AFTER APPLYING PREPARATION TO SKIN SITE POLA CHEMICAL INDUSTRIES, INC. (JP) 2002-01-22 US disclosed
EP-0992232-A1 METHOD FOR EVALUATING SKIN CONDITIONING AGENTS AND PROCESS FOR PRODUCING EXTERNAL SKIN PREPARATIONS POLA CHEMICAL INDUSTRIES, INC. (JP) 2000-04-12 EP disclosed