SCHEMBL9440752

SCHEMBL9440752

CCc1oc(C(CCO)C(O)CCc2nc(-c3ccc(Cl)cc3)c(C)o2)nc1-c1ccc(Cl)cc1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.33
RXRB P28702 3/20 0.33
RXRG P48443 3/20 0.33
CACNA1G O43497 2/20 0.32
ALDH1A1 P00352 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TARBP2 Q15633 1/20 0.30
SIRT2 Q8IXJ6 1/20 0.30

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
SCHEMBL9440740 0.81 SIRT2 (0.47) RXRARXRBRXRGCACNA1GALDH1A1
SCHEMBL9848736 0.74 SIRT2 (0.52) RXRARXRBRXRGCACNA1GALDH1A1
SCHEMBL9848741 0.73 SIRT2 (0.54) RXRARXRBRXRGALDH1A1NPSR1
SCHEMBL10832467 0.71 TARBP2 (0.41) RXRARXRBRXRGALDH1A1TARBP2
SCHEMBL10833341 0.62 RXRA (0.37) RXRARXRBRXRGCACNA1GALDH1A1
SCHEMBL10834256 0.62 RXRA (0.58) RXRARXRBRXRGALDH1A1
SCHEMBL9441135 0.62 RAB9A (0.52) ALDH1A1TARBP2
SCHEMBL5212038 0.61 RXRA (0.60) RXRARXRBRXRGCACNA1GALDH1A1
SCHEMBL15578243 0.61 SMN1; SMN2 (0.41) RXRARXRBRXRGALDH1A1
SCHEMBL9440768 0.61 SIRT2 (0.38) RXRARXRBRXRGALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5371098-A Use of oxazole compounds to treat osteoporosis TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-12-06 US claimed