SCHEMBL3623282

SCHEMBL3623282

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

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.34
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
CHRM1 P11229 2/20 0.34
TBXA2R P21731 1/20 0.34
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GALR3 O60755 1/20 0.33
BLM P54132 1/20 0.33
ALDH1A1 P00352 2/20 0.32
SLC22A16 Q86VW1 1/20 0.32
LMNA P02545 2/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
HRH1 P35367 1/20 0.30
KMT2A Q03164 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM3 P20309 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL572694 0.81 TSHR (0.33) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL6293184 0.78 POLB (0.33) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL27740034 0.74 TSHR (0.41) TSHRALDH1A1
SCHEMBL19386097 0.72 TDP1 (0.43) TSHRCHRM2CHRM4CHRM1TBXA2R
Phosphoric Acid SCHEMBL8763248 0.72 TSHR (0.49) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL27565567 0.72 TSHR (0.38) TSHRALDH1A1
SCHEMBL9276375 0.71 ALDH1A1 (0.48) TSHRALDH1A1
SCHEMBL29068293 0.70 THRB (0.36) TSHRALDH1A1
Phosphoric Acid SCHEMBL8763237 0.70 TSHR (0.50) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL819118 0.70 CHRM5 (0.40) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1669093-B1 Polyoxyalkylene copolymer blends as biomaterial for drug delivery and surface modification TYCO HEALTHCARE (US) 2010-02-24 EP claimed