SCHEMBL7758484

SCHEMBL7758484

COC(=O)c1ccc(Cl)c(SSc2cc(C(=O)OC)ccc2Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.57
ALDH1A1 P00352 7/20 0.57
KDM4E B2RXH2 4/20 0.57
HPGD P15428 4/20 0.57
LMNA P02545 3/20 0.57
HSD17B10 Q99714 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
ALOX15 P16050 2/20 0.57
TP53 P04637 1/20 0.57
ALOX12 P18054 1/20 0.57
HTT P42858 1/20 0.57
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA12 O43570 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
XDH P47989 1/20 0.50

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
SCHEMBL7020250 0.81 ALDH1A1 (0.53) MAPTALDH1A1KDM4EHPGDLMNA
SCHEMBL5393044 0.81 ALDH1A1 (0.64) MAPTALDH1A1KDM4EHPGDLMNA
SCHEMBL29822834 0.81 ALDH1A1 (0.64) MAPTALDH1A1KDM4EHPGDLMNA
SCHEMBL19328513 0.79 KDM4E (0.59) MAPTALDH1A1KDM4EHPGDLMNA
SCHEMBL70470 0.78 ALDH1A1 (0.65) MAPTALDH1A1KDM4EHPGDLMNA
SCHEMBL2237689 0.78 ALDH1A1 (0.60) MAPTALDH1A1KDM4EHPGDLMNA
SCHEMBL560243 0.78 CA1 (0.69) MAPTALDH1A1KDM4EHPGDLMNA
SCHEMBL7759639 0.77 TSHR (0.63) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL728817 0.76 ALDH1A1 (0.58) MAPTALDH1A1KDM4EHPGDLMNA
SCHEMBL2253933 0.76 MAPT (0.62) MAPTALDH1A1KDM4ELMNASMN1; SMN2

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