SCHEMBL1970323

SCHEMBL1970323

CC[C@@](N)(C(=O)O)c1ccc(OC)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.65
CYP1A2 P05177 1/20 0.65
KMT2A Q03164 1/20 0.65
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
ALOX15 P16050 1/20 0.45
APEX1 P27695 1/20 0.45
MAPK1 P28482 1/20 0.45
RECQL P46063 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KIF11 P52732 4/20 0.44
PARP1 P09874 1/20 0.43
PARP10 Q53GL7 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
PARP4 Q9UKK3 1/20 0.43
MAPT P10636 1/20 0.42
LDHA P00338 1/20 0.42

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
SCHEMBL1968659 1.00 MEN1 (0.65) MEN1CYP1A2KMT2ACA1CA2
SCHEMBL1972152 0.87 MEN1 (0.49) MEN1CYP1A2KMT2ACA1CA2
SCHEMBL27338628 0.80 MEN1 (0.71) MEN1CYP1A2KMT2AALDH1A1LMNA
SCHEMBL305912 0.80 CYP1A2 (0.70) MEN1CYP1A2KMT2AALDH1A1KIF11
SCHEMBL2089243 0.80 CYP1A2 (0.70) MEN1CYP1A2KMT2AALDH1A1KIF11
SCHEMBL2089245 0.80 CYP1A2 (0.70) MEN1CYP1A2KMT2AALDH1A1KIF11
SCHEMBL13073529 0.79 MEN1 (1.00) MEN1CYP1A2KMT2AALDH1A1TDP1
SCHEMBL7742622 0.79 MEN1 (0.69) MEN1CYP1A2KMT2AALDH1A1LMNA
SCHEMBL21767930 0.79 MEN1 (0.69) MEN1CYP1A2KMT2ACA2ALDH1A1
SCHEMBL21767932 0.79 MEN1 (0.69) MEN1CYP1A2KMT2ACA2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168667-B2 Imidazolidine derivatives, uses therefor, preparation thereof and compositions comprising such GALAPAGOS NV (BE) 2012-05-01 US disclosed
EP-2026799-B1 IMIDAZOLIDINE DERIVATIVES, USES THEREFOR, PREPARATION THEREOF AND COMPOSITIONS COMPRISING SUCH GALAPAGOS SAS (FR) 2011-06-22 EP disclosed