SCHEMBL17244012

SCHEMBL17244012

CCCCOc1cc(-c2nc(C(=O)O)co2)ccc1OC(F)F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.41
FPR2 P25090 1/20 0.40
PTPN11 Q06124 4/20 0.39
BCHE P06276 2/20 0.39
ACHE P22303 2/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
PTPN1 P18031 2/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
XDH P47989 1/20 0.38
PTPN6 P29350 1/20 0.38
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37

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
SCHEMBL17040266 0.89 APLNR (0.40) S1PR1FPR2BCHEACHEHDAC1
SCHEMBL17040094 0.87 HDAC1 (0.46) S1PR1PTPN11HDAC1HDAC8HDAC6
SCHEMBL19066438 0.84 KMO (0.41) S1PR1HDAC1HDAC8HDAC6PTPN1
SCHEMBL30484467 0.84 KMO (0.41) S1PR1HDAC1HDAC8HDAC6PTPN1
SCHEMBL17243833 0.83 PTPN1 (0.44) PTPN1XDH
SCHEMBL17040267 0.83 IL6 (0.42) S1PR1FPR2BCHEACHEESR1
SCHEMBL15521534 0.81 BCHE (0.39) S1PR1FPR2BCHEACHEESR1
SCHEMBL4284422 0.80 S1PR1 (0.61) S1PR1
SCHEMBL17037222 0.78 DHODH (0.42) S1PR1HDAC1HDAC8HDAC6XDH
SCHEMBL17037232 0.78 CA9 (0.42) XDH

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
US-9181205-B2 Method for producing oxazole compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-11-10 US disclosed