SCHEMBL1994789

SCHEMBL1994789

CCCC(CC)[N+](C(CC)CCC)(C(CC)CCC)C(CC)CCC

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
LMNA P02545 1/20 0.32
CHRM1 P11229 1/20 0.30
AKR1A1 P14550 1/20 0.30
CHRM3 P20309 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
ADRA1A P35348 1/20 0.30
HRH1 P35367 1/20 0.30
DRD3 P35462 1/20 0.30
SLC6A3 Q01959 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL1991621 0.81 TSHR (0.31) TSHR
Fluoride Ion SCHEMBL5411127 0.78 ALDH1A1 (0.40) TSHRLMNATDP1
SCHEMBL27285776 0.76 TSHR (0.36) TSHRLMNA
Hydrochloric Acid SCHEMBL5849103 0.71 TSHR (0.33) TSHR
Water SCHEMBL7549052 0.71 TSHR (0.33) TSHR
Hydrochloric Acid SCHEMBL28346423 0.69 SLC22A1 (0.40) TSHR
Water SCHEMBL7941486 0.69 SLC22A1 (0.33) TSHR
Hydrochloric Acid SCHEMBL1914719 0.69 TSHR (0.38) TSHRLMNACHRM1AKR1A1CHRM3
SCHEMBL18721269 0.64
SCHEMBL1995636 0.64 TSHR (0.45) TSHRCHRM1AKR1A1CHRM3HTR2A

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
US-20110151355-A1 POLYMER, POLYMER ELECTROLYTE AND USE OF SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-23 US disclosed