Cyclopropane

Cyclopropane

SCHEMBL2479617

C1CC1.CC(=O)OCOS(C)(=O)=O

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
LMNA P02545 3/20 0.37
HSD17B10 Q99714 1/20 0.37
TSHR P16473 2/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
MMP9 P14780 1/20 0.36
ALOX15 P16050 1/20 0.36
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
CHRM5 P08912 2/20 0.31
CHRM1 P11229 2/20 0.31
CHRM3 P20309 2/20 0.31
PGR P06401 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
HTR1A P08908 1/20 0.31
CHRNB2 P17787 1/20 0.31
TBXA2R P21731 1/20 0.31
CHRNB4 P30926 1/20 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
SCHEMBL15426657 0.93 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10TSHRKDM4E
SCHEMBL15426658 0.77 ALDH1A1 (0.36) ALDH1A1LMNAHSD17B10TSHRKDM4E
SCHEMBL1817154 0.75 SMN1; SMN2 (0.40) ALDH1A1TSHRKDM4ECHRM1SMN1; SMN2
SCHEMBL2169178 0.73 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10TSHRKDM4E
SCHEMBL15383922 0.73 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10TSHRCHRM5
SCHEMBL26185312 0.72 ALDH1A1 (0.40) ALDH1A1TSHRKDM4ESMN1; SMN2GAA
SCHEMBL28656530 0.72 GAA (0.40) ALDH1A1TSHRKDM4ESMN1; SMN2GAA
SCHEMBL14849328 0.71 KDM4E (0.37) ALDH1A1LMNATSHRKDM4EUSP2
Methanesulfonic Acid Ethyl Ester SCHEMBL28517023 0.71 ALDH1A1 (0.64) ALDH1A1LMNAHSD17B10TSHRKDM4E
SCHEMBL28404659 0.71 TP53 (0.38) ALDH1A1LMNATSHRKDM4EUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2181986-B1 Process for the preparation of a precursor of montelukast SYNTHON BV (NL) 2011-10-19 EP disclosed
EP-2181986-A1 Process for the preparation of a precursor of montelukast Synthon B.V. (NL) 2010-05-05 EP disclosed
EP-1740546-A2 PROCESS FOR MAKING MONTELUKAST AND INTERMEDIATES THEREFOR Synthon B.V. (NL) 2007-01-10 EP disclosed
WO-2005105749-A2 PROCESS FOR MAKING MONTELUKAST AND INTERMEDIATES THEREFOR SYNTHON B.V. (NL) 2005-11-10 WO disclosed