SCHEMBL8546134

SCHEMBL8546134

COC(=O)COc1cccc2c1CCCC2

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 8/20 0.54
RXRB P28702 8/20 0.54
RXRG P48443 5/20 0.54
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.49
PRMT5 O14744 1/20 0.48
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.47
SSTR4 P31391 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL5508804 0.97 RXRA (0.54) RXRARXRBRXRGLMNASMN1; SMN2
SCHEMBL2876699 0.86 RXRA (0.54) RXRARXRBRXRGSMN1; SMN2MRGPRX4
SCHEMBL13768229 0.85 RXRA (0.57) RXRARXRBRXRGLMNASMN1; SMN2
SCHEMBL3478697 0.85 RXRA (0.51) RXRARXRBRXRGMRGPRX4PRMT5
SCHEMBL3479749 0.83 RXRB (0.66) RXRARXRBRXRGMRGPRX4KDM4E
SCHEMBL28548896 0.82 RXRB (0.64) RXRARXRBRXRGMRGPRX4KDM4E
SCHEMBL9017314 0.81 MTNR1A (0.50)
SCHEMBL23252533 0.79 S1PR5 (0.52) RXRARXRBRXRGLMNAMRGPRX4
SCHEMBL23874594 0.79 S1PR5 (0.52) RXRARXRBRXRGLMNAMRGPRX4
SCHEMBL7663445 0.79 MRGPRX4 (0.56) SMN1; SMN2MRGPRX4KDM4EPOLBALDH1A1

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
EP-0842161-A1 4,5-DIARYL OXAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-05-20 EP disclosed