SCHEMBL7461986

SCHEMBL7461986

O=C(O)CCc1oc(-n2cncn2)nc1-c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 10/20 0.46
RXRB P28702 10/20 0.46
RXRG P48443 8/20 0.46
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 3/20 0.41
TSHR P16473 2/20 0.41
HPGD P15428 2/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
GFER P55789 1/20 0.41
PDE4B Q07343 1/20 0.39
NR4A2 P43354 2/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP2C9 P11712 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
SCHEMBL7462904 0.86 ALDH1A1 (0.43) ALDH1A1KDM4ETSHRHPGDMAPT
SCHEMBL7458927 0.85 ALDH1A1 (0.42) RXRARXRBRXRGALDH1A1KDM4E
SCHEMBL1361653 0.84 KDM4E (0.43) RXRARXRBRXRGALDH1A1KDM4E
SCHEMBL7468386 0.82 RXRA (0.48) RXRARXRBRXRGALDH1A1KDM4E
SCHEMBL7464609 0.80 RXRA (0.46) RXRARXRBRXRGALDH1A1KDM4E
SCHEMBL7467327 0.78 KDM4E (0.40) ALDH1A1KDM4EPDE4B
SCHEMBL7466864 0.78 RXRA (0.48) RXRARXRBRXRGALDH1A1KDM4E
SCHEMBL7463596 0.77 RXRA (0.47) RXRARXRBRXRGALDH1A1KDM4E
SCHEMBL7456584 0.77 RXRA (0.47) RXRARXRBRXRGALDH1A1KDM4E
SCHEMBL5208589 0.77 RXRA (0.56) RXRARXRBRXRGALDH1A1KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6498179-B1 SUCH AS 4-(4-CHLOROPHENYL)-5-(3-(2-METHOXYPHENOXY)PROPYL)-2-(2-METHYL-1 -IMIDAZOLYL)OXAZOLE; INSULIN SECERTION PROMOTING AND BLOOD SUGAR DEPRESSING EFFECT; DIABETES; LOW TOXICITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-12-24 US disclosed
EP-0891340-B1 OXAZOLE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-11-13 EP disclosed
US-6177452-B1 ANTIDIABETIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-23 US disclosed