SCHEMBL14381007

SCHEMBL14381007

Bc1ccc2cccc(C(=O)COC(C)=O)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
NPC1 O15118 1/20 0.43
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
PTPN1 P18031 1/20 0.39
ALDH1A1 P00352 8/20 0.39
HPGD P15428 5/20 0.39
KDM4E B2RXH2 5/20 0.39
HSD17B10 Q99714 3/20 0.39
TP53 P04637 2/20 0.39
MTNR1A P48039 1/20 0.38
MAPT P10636 5/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
GMNN O75496 2/20 0.38
POLB P06746 2/20 0.38
MAPK1 P28482 2/20 0.38
BLM P54132 2/20 0.38
PMP22 Q01453 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38

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
SCHEMBL4828397 0.83 LMNA (0.44) LMNANPC1FNTAFNTBPTPN1
SCHEMBL4828442 0.82 NPC1 (0.59) LMNANPC1FNTAFNTBPTPN1
SCHEMBL4835943 0.71 LMNA (0.51) LMNANPC1PTPN1ALDH1A1HPGD
SCHEMBL4831696 0.70 HPGD (0.52) LMNANPC1ALDH1A1HPGDKDM4E
SCHEMBL4831567 0.69 LMNA (0.46) LMNANPC1ALDH1A1HPGDHSD17B10
SCHEMBL1301580 0.67 SMN1; SMN2 (0.54) LMNANPC1ALDH1A1HPGDKDM4E
SCHEMBL4837029 0.67 KDM4E (0.61) NPC1PTPN1ALDH1A1HPGDKDM4E
SCHEMBL27552877 0.67 ALDH1A1 (0.50) LMNAALDH1A1HPGDKDM4EHSD17B10
SCHEMBL4828432 0.67 LMNA (0.47) LMNAALDH1A1HPGDKDM4EMAPT
SCHEMBL14714619 0.67 MTNR1A (0.47) LMNAKDM4EMTNR1AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1474140-B1 2-OXAZOLAMINES AND THEIR USE AS 5-HT2B RECEPTOR ANTAGONISTS ASTERAND UK LTD (GB) 2007-11-21 EP disclosed