SCHEMBL4644937

SCHEMBL4644937

CC1CC1(C(=O)O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.38
FFAR3 O14843 1/20 0.36
GRM2 Q14416 4/20 0.35
GRM3 Q14832 4/20 0.35
GRM6 O15303 3/20 0.35
CYP2C19 P33261 4/20 0.35
GRM4 Q14833 4/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GRM8 O00222 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 2/20 0.33
TP53 P04637 1/20 0.33
NFKB1 P19838 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
SCHEMBL15219234 1.00 APLNR (0.38) APLNRFFAR3GRM2GRM3GRM6
SCHEMBL15338474 0.86 APLNR (0.33) APLNRFFAR3GRM2GRM3GRM6
SCHEMBL10254462 0.86 APLNR (0.33) APLNRFFAR3GRM2GRM3GRM6
SCHEMBL11757280 0.82 APLNR (0.31) APLNRGRM2GRM3GRM6
SCHEMBL7722916 0.80 CYP1A2 (0.37) APLNRCYP2C19CYP1A2MAPK1TP53
SCHEMBL4398594 0.80 MAPT (0.37) APLNRALDH1A1MEN1KMT2ANPSR1
SCHEMBL371813 0.80 MAPT (0.37) APLNRALDH1A1MEN1KMT2ANPSR1
SCHEMBL25330082 0.75
SCHEMBL17479965 0.75
SCHEMBL20348812 0.75 MAPK1 (0.38) ALDH1A1MEN1KMT2AKDM4EALOX15

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-1748043-B1 Polysubstituted 1,1-pyridinyloxycyclopropanamine derivatives, process for their préparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2008-08-20 EP disclosed
WO-2007012762-A1 NOVEL POLYSUBSTITUTED 1,1-PYRIDINYLOXYCYCLOPROPANAMINE COMPOUNDS, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2007-02-01 WO disclosed
EP-1748043-A1 Polysubstituted 1,1-pyridinyloxycyclopropanamine derivatives, process for their préparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2007-01-31 EP disclosed
US-5869737-A REACTING A MALONIC ACID DERIVATIVE AND A 1,2-DICHLORO COMPOUND WITH AN ALCOHOLATE; CYCLIZATION; SOLVENT EXTRACTION; DISTILLATION HUELS AKTIENGESELLSCHAFT (DE) 1999-02-09 US disclosed