SCHEMBL8308550

SCHEMBL8308550

O=C(O)CCc1oc(-c2nc[nH]n2)nc1-c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
GFER P55789 1/20 0.46
RXRA P19793 7/20 0.46
RXRB P28702 7/20 0.46
RXRG P48443 6/20 0.46
TSHR P16473 1/20 0.44
FFAR1 O14842 2/20 0.41
FFAR4 Q5NUL3 7/20 0.38
S1PR1 P21453 1/20 0.38
NR4A2 P43354 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
SCHEMBL8309189 0.86 RAB9A (0.44) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL5210892 0.80 RXRA (0.62) KDM4EALDH1A1MAPTPKMHPGD
SCHEMBL5211488 0.78 RXRA (0.50) KDM4EALDH1A1MAPTPKMHPGD
SCHEMBL7955853 0.78 RXRA (0.48) KDM4EALDH1A1MAPTPKMHPGD
SCHEMBL8307794 0.78 RXRA (0.46) KDM4EALDH1A1MAPTPKMHPGD
SCHEMBL5208589 0.77 RXRA (0.56) KDM4EALDH1A1MAPTPKMHPGD
SCHEMBL8303284 0.76 RXRA (0.46) KDM4EALDH1A1MAPTPKMHPGD
SCHEMBL5215303 0.75 RXRA (0.48) KDM4EALDH1A1HPGDRXRARXRB
SCHEMBL5210730 0.75 RXRA (0.53) KDM4EALDH1A1MAPTPKMHPGD
SCHEMBL8304081 0.75 RXRA (0.45) KDM4EALDH1A1MAPTPKMHPGD

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