SCHEMBL2479652

SCHEMBL2479652

O=C(OCc1ccccc1)ON1CCC2(CC1)CO2

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CYP2C19 P33261 1/20 0.41
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 1/20 0.40
GFER P55789 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL541133 0.81 MEN1 (0.63) ALDH1A1MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL5012749 0.79 CHRNB4 (0.40) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL4712782 0.79 SMN1; SMN2 (0.42) ALDH1A1MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL6431088 0.78 MEN1 (0.48) ALDH1A1MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL2917851 0.77 L3MBTL1 (0.46) ALDH1A1MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL690539 0.77 HTR2C (0.46) ALDH1A1MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL4707711 0.77 SMN1; SMN2 (0.53) ALDH1A1MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL5198237 0.76 SMN1; SMN2 (0.46) ALDH1A1MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL541558 0.76 MEN1 (0.57) ALDH1A1MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL4708973 0.74 TSHR (0.49) ALDH1A1MEN1KMT2ANPSR1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2374806-B1 OXAZOLIDINON-QUINOLONE HYBRIDES AND INTERMEDIATES FOR THEIR PREPARATION MORPHOCHEM AG FÜR KOMBINATORISCHE CHEMIE (DE) 2016-11-02 EP disclosed
EP-1660489-B1 INTERMEDIATE PRODUCTS FOR PRODUCING OXAZOLIDINONE-QUINOLONE HYBRIDS MORPHOCHEM AG FÜR KOMBINATORISCHE CHEMIE (DE) 2014-07-02 EP disclosed
EP-2374806-A1 OXAZOLIDINON-QUINOLONe HYBRIDes and intermediates for their preparation Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2011-10-12 EP disclosed