SCHEMBL8304152

SCHEMBL8304152

O=C(O)CCc1oc(-c2c[nH]c(-c3ccccc3)n2)nc1-c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 17/20 0.51
RXRB P28702 17/20 0.51
RXRG P48443 12/20 0.51
NR4A2 P43354 4/20 0.42
TSHR P16473 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
ABCC4 O15439 1/20 0.40
C5 P01031 1/20 0.40
LMNA P02545 1/20 0.40
CHRM2 P08172 1/20 0.40
CYP3A4 P08684 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD2 P14416 1/20 0.40
TBXA2R P21731 1/20 0.40
NR4A1 P22736 1/20 0.40
PTGS1 P23219 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
MAPK1 P28482 1/20 0.40

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 0.85 RXRA (0.45) RXRARXRBRXRGNR4A2TSHR
SCHEMBL5210892 0.84 RXRA (0.62) RXRARXRBRXRGNR4A2TSHR
SCHEMBL8307612 0.83 RXRA (0.43) RXRARXRBRXRGNR4A2TSHR
SCHEMBL8307646 0.82 RXRA (0.43) RXRARXRBRXRGNR4A2TSHR
SCHEMBL8305970 0.82 RXRA (0.43) RXRARXRBRXRGNR4A2TSHR
SCHEMBL8307794 0.80 RXRA (0.46) RXRARXRBRXRGNR4A2TSHR
SCHEMBL8303845 0.79 RXRA (0.41) RXRARXRBRXRGNR4A2TSHR
SCHEMBL5211557 0.78 RXRA (0.56) RXRARXRBRXRGNR4A2TSHR
SCHEMBL7955853 0.78 RXRA (0.48) RXRARXRBRXRGNR4A2TSHR
SCHEMBL5210730 0.77 RXRA (0.53) RXRARXRBRXRGNR4A2TSHR

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