SCHEMBL9701570

SCHEMBL9701570

COc1ccc(CCCCCCOS(C)(=O)=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
APLNR P35414 1/20 0.50
CALM1 P0DP23 1/20 0.49
ALOX15 P16050 2/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
USP2 O75604 1/20 0.48
LMNA P02545 1/20 0.48
MMP9 P14780 1/20 0.48
TSHR P16473 1/20 0.48
IGF1R P08069 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA5A P35218 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
ALOX5 P09917 1/20 0.45
SMN1; SMN2 Q16637 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
SCHEMBL1843955 0.98 APLNR (0.51) TDP1L3MBTL1APLNRCALM1ALOX15
SCHEMBL1845841 0.93 APLNR (0.53) TDP1L3MBTL1APLNRCALM1ALOX15
SCHEMBL1845745 0.86 APLNR (0.56) TDP1APLNRCALM1ALDH1A1CA12
SCHEMBL24041808 0.84 APLNR (0.47) APLNRCALM1ALDH1A1LMNATSHR
SCHEMBL22750781 0.83 L3MBTL1 (0.56) TDP1L3MBTL1APLNRCALM1ALOX15
SCHEMBL7597791 0.82 KDM4E (0.50) TDP1L3MBTL1ALOX15ALDH1A1KDM4E
SCHEMBL26316551 0.81 ALDH1A1 (0.54) ALOX15ALDH1A1KDM4EUSP2LMNA
SCHEMBL8435356 0.81 KDM4E (0.54) TDP1L3MBTL1ALOX15ALDH1A1KDM4E
SCHEMBL6041286 0.81 KDM4E (0.54) TDP1L3MBTL1ALOX15ALDH1A1KDM4E
SCHEMBL23014971 0.81 KDM4E (0.54) TDP1L3MBTL1ALOX15ALDH1A1KDM4E

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-5086065-A Leukotriene antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 1992-02-04 US disclosed