SCHEMBL8305905

SCHEMBL8305905

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 9/20 0.45
RXRB P28702 9/20 0.45
RXRG P48443 6/20 0.45
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
GFER P55789 1/20 0.40
S1PR1 P21453 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
FFAR4 Q5NUL3 6/20 0.38
NR4A2 P43354 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
SCHEMBL8303845 0.94 RXRA (0.41) RXRARXRBRXRGTSHRKDM4E
SCHEMBL8303347 0.90 NR4A2 (0.35) RXRARXRBRXRGKDM4EALDH1A1
SCHEMBL7506492 0.89 RXRA (0.47) RXRARXRBRXRGS1PR1NR4A2
SCHEMBL8307612 0.87 RXRA (0.43) RXRARXRBRXRGTSHRKDM4E
SCHEMBL8307946 0.86 ALDH1A1 (0.35) RXRARXRBRXRGKDM4EALDH1A1
SCHEMBL8305970 0.86 RXRA (0.43) RXRARXRBRXRGTSHRKDM4E
SCHEMBL8307646 0.86 RXRA (0.43) RXRARXRBRXRGTSHRKDM4E
SCHEMBL8304152 0.85 RXRA (0.51) RXRARXRBRXRGTSHRKDM4E
SCHEMBL8309374 0.85 MAPT (0.35) RXRARXRBRXRGTSHRKDM4E
SCHEMBL7505595 0.85 PPARG (0.41) RXRARXRBRXRGS1PR1FFAR4

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