SCHEMBL9719085

SCHEMBL9719085

NC(=O)OCCOCC#CI

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM5 P08912 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
LMNA P02545 2/20 0.36
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36
HTR1A P08908 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
CHRNA7 P36544 1/20 0.36
ALOX15 P16050 1/20 0.33
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 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
SCHEMBL943376 0.81
Urethane SCHEMBL9719078 0.79 ALOX15 (0.48) CHRM2CHRM4CHRM5CHRM1CHRM3
Carbamic Acid SCHEMBL9719090 0.76 POLB (0.35) TSHR
SCHEMBL7152429 0.76 CHRNB2 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL13737752 0.75 TSHR (0.48) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL24835739 0.75 TSHR (0.50) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL30552236 0.75 TSHR (0.50) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL31591142 0.75 TSHR (0.50) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL28515744 0.73 TSHR (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL26924598 0.73 TSHR (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0502661-A2 Heteroanthracycline anti-tumor analogues BIOCHEM PHARMA INC. (CA) 1992-09-09 EP claimed
EP-0093962-B1 2-(3-IODO-2-PROPYNYLOXY)-ETHANOL CARBAMATES, PREPARATION AND USE THEREOF AS A MICROBICIDAL SUBSTANCE Henkel Kommanditgesellschaft auf Aktien (DE) 1987-06-16 EP claimed
US-5109019-A Mixture of quaternary ammonium compounds and iodopropynyloxy ethanol carbamate compounds HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1992-04-28 US disclosed
EP-0093962-B1 2-(3-IODO-2-PROPYNYLOXY)-ETHANOL CARBAMATES, PREPARATION AND USE THEREOF AS A MICROBICIDAL SUBSTANCE Henkel Kommanditgesellschaft auf Aktien (DE) 1987-06-16 EP disclosed
US-4474807-A 2-(3-Iodo-2-propynyloxy)-ethyl carbamates, the preparation thereof, and their use as antimicrobial agents HENKEL KOMMANDIGESELLSCHAFT AUF AKTIEN (DE) 1984-10-02 US disclosed
US-4474807-A 2-(3-Iodo-2-propynyloxy)-ethyl carbamates, the preparation thereof, and their use as antimicrobial agents HENKEL KOMMANDIGESELLSCHAFT AUF AKTIEN (DE) 1984-10-02 US disclosed
US-4474807-A 2-(3-Iodo-2-propynyloxy)-ethyl carbamates, the preparation thereof, and their use as antimicrobial agents HENKEL KOMMANDIGESELLSCHAFT AUF AKTIEN (DE) 1984-10-02 US disclosed
EP-0093962-A1 2-(3-Iodo-2-propynyloxy)-ethanol carbamates, preparation and use thereof as a microbicidal substance Henkel Kommanditgesellschaft auf Aktien (DE) 1983-11-16 EP disclosed