SCHEMBL8307646

SCHEMBL8307646

CC(C)c1nc(-c2nc(-c3ccc(Cl)cc3)c(CCC(=O)O)o2)c[nH]1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 9/20 0.43
RXRB P28702 9/20 0.43
RXRG P48443 6/20 0.43
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
GFER P55789 1/20 0.38
S1PR1 P21453 1/20 0.38
FFAR1 O14842 2/20 0.37
NR4A2 P43354 1/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.34
FFAR4 Q5NUL3 3/20 0.34

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 0.86 RXRA (0.45) RXRARXRBRXRGTSHRKDM4E
SCHEMBL8307612 0.84 RXRA (0.43) RXRARXRBRXRGTSHRKDM4E
SCHEMBL8305970 0.84 RXRA (0.43) RXRARXRBRXRGTSHRKDM4E
SCHEMBL8304152 0.82 RXRA (0.51) RXRARXRBRXRGTSHRKDM4E
SCHEMBL8303845 0.80 RXRA (0.41) RXRARXRBRXRGTSHRKDM4E
SCHEMBL8307794 0.79 RXRA (0.46) RXRARXRBRXRGTSHRKDM4E
SCHEMBL8303347 0.77 NR4A2 (0.35) RXRARXRBRXRGKDM4EALDH1A1
SCHEMBL5210892 0.77 RXRA (0.62) RXRARXRBRXRGTSHRKDM4E
SCHEMBL7506492 0.76 RXRA (0.47) RXRARXRBRXRGS1PR1NR4A2
SCHEMBL7457909 0.75 RXRA (0.48) RXRARXRBRXRGTSHRKDM4E

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