SCHEMBL7757626

SCHEMBL7757626

COc1cc(S)c(Cl)cc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.50
▸ ALDH1A1 P00352 4/20 0.50
▸ HPGD P15428 2/20 0.50
▸ LCK P06239 1/20 0.49
▸ FYN P06241 1/20 0.49
▸ GAA P10253 1/20 0.46
▸ HSD17B10 Q99714 3/20 0.45
▸ MRGPRX4 Q96LA9 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.42
▸ HTT P42858 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CLCN2 P51788 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39

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
SCHEMBL3387534 0.85 ALDH1A1 (0.56) KDM4EALDH1A1HPGDLCKFYN
SCHEMBL11310945 0.83 LCK (0.58) KDM4EALDH1A1HPGDLCKFYN
SCHEMBL3617721 0.83 ALDH1A1 (0.55) KDM4EALDH1A1HPGDLCKFYN
SCHEMBL7802404 0.80 ALDH1A1 (0.51) KDM4EALDH1A1HPGDLCKFYN
SCHEMBL2366676 0.80 KDM4E (0.51) KDM4EALDH1A1HPGDLCKFYN
SCHEMBL1743592 0.80 ALDH1A1 (0.51) KDM4EALDH1A1HPGDLCKFYN
SCHEMBL31535290 0.80 LCK (0.65) KDM4EALDH1A1HPGDLCKFYN
SCHEMBL8901996 0.79 ALDH1A1 (0.55) KDM4EALDH1A1HPGDLCKFYN
SCHEMBL6743024 0.79 LCK (0.58) KDM4EALDH1A1HPGDLCKFYN
SCHEMBL2337780 0.79 HTT (0.51) KDM4EALDH1A1HPGDGAAHSD17B10

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
WO-2001056982-A1 VITAMIN D-DERIVATIVES AND THEIR USE IN TREATING OSTEOPOROSIS AND RELATED BONE DISORDERS LEO PHARMA A/S (DK) 2001-08-09 — — WO disclosed
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