SCHEMBL8303845

SCHEMBL8303845

Cc1nc(-c2nc(-c3ccc(Cl)cc3)c(CCCC(=O)O)o2)c[nH]1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.41
RXRB P28702 6/20 0.41
RXRG P48443 6/20 0.41
NR4A2 P43354 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
TSHR P16473 1/20 0.37
FFAR4 Q5NUL3 6/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
GFER P55789 1/20 0.36
S1PR1 P21453 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
PTGS1 P23219 1/20 0.36
EPHX2 P34913 1/20 0.36
PTGS2 P35354 1/20 0.36

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
SCHEMBL8305905 0.94 RXRA (0.45) RXRARXRBRXRGNR4A2PTGDR2
SCHEMBL4442406 0.87 SIRT2 (0.38) RXRARXRBRXRGPTGDR2KDM4E
SCHEMBL8303347 0.86 NR4A2 (0.35) RXRARXRBRXRGNR4A2PTGDR2
SCHEMBL4563793 0.86 SIRT2 (0.35) ALDH1A1MAPT
SCHEMBL8308639 0.86 MAPT (0.35) KDM4EALDH1A1MAPTHTT
SCHEMBL8304088 0.85 HSD17B10 (0.40) TSHRKDM4EALDH1A1MAPTHPGD
SCHEMBL4442084 0.85 SIRT2 (0.34) ALDH1A1
SCHEMBL7514117 0.85 SIRT2 (0.34) ALDH1A1
SCHEMBL7505595 0.85 PPARG (0.41) RXRARXRBRXRGFFAR4S1PR1
SCHEMBL8303146 0.85 CRHR1 (0.31)

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-0891340-A1 OXAZOLE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1999-01-20 EP disclosed
WO-1997036882-A1 OXAZOLE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-09 WO disclosed