SCHEMBL4641012

SCHEMBL4641012

COc1ccc(-c2nc(CC(=O)Cc3ccccc3OCC(F)F)co2)cc1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HSD17B10 Q99714 2/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
SMPD1 P17405 3/20 0.40
LMNA P02545 4/20 0.39
KMT2A Q03164 3/20 0.39
GAA P10253 1/20 0.39
USP2 O75604 1/20 0.39
ABCB1 P08183 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 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
SCHEMBL5592765 0.91 TSHR (0.42) TSHRKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL4639814 0.91 KDM4E (0.41) TSHRKDM4ESMN1; SMN2HSD17B10MAPT
SCHEMBL5592687 0.89 FPR2 (0.37) KDM4EALDH1A1HSD17B10MAPTPDE4D
SCHEMBL4639389 0.89 KDM4E (0.43) TSHRKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL4640682 0.88 PDE4A (0.43) TSHRKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL5592984 0.88 LMNA (0.36) TSHRKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL4639865 0.87 KDM4E (0.41) TSHRKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL4641207 0.85 KDM4E (0.43) TSHRKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL4639503 0.85 TSHR (0.39) TSHRKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL4276891 0.83 TSHR (0.41) TSHRKDM4EALDH1A1SMN1; SMN2HSD17B10

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
EP-1954684-A2 OXAZOLE COMPOUND AND PHARMACEUTICAL COMPOSITION Otsuka Pharmaceutical Co., Ltd. (JP) 2008-08-13 EP disclosed
WO-2007058338-A2 OXAZOLE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-05-24 WO disclosed