SCHEMBL8326403

SCHEMBL8326403

COC(=O)c1ccc(OC(CO)CS)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
RAB9A P51151 2/20 0.46
TDP1 Q9NUW8 1/20 0.44
CA12 O43570 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CYP4A11 Q02928 2/20 0.44
STS P08842 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP4F2 P78329 1/20 0.43

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
SCHEMBL11946585 0.86 CA1 (0.53) MAPTCA1CA2MEN1KMT2A
SCHEMBL9818904 0.80 RAB9A (0.52) MAPTCA1CA2KMT2ASMN1; SMN2
SCHEMBL30822793 0.76 CA1 (0.53) MAPTCA1CA2MEN1KMT2A
SCHEMBL24943239 0.75 CA1 (0.60) MAPTCA1CA2MEN1KMT2A
SCHEMBL6548631 0.74 CA1 (0.64) MAPTCA1CA2MEN1KMT2A
SCHEMBL10295156 0.74 MAPT (0.75) MAPTCA1CA2MEN1KMT2A
SCHEMBL1854840 0.74 KMT2A (0.66) MAPTCA1CA2MEN1KMT2A
SCHEMBL7262172 0.73 CA1 (0.58) MAPTCA1CA2MEN1KMT2A
SCHEMBL6285461 0.73 CA1 (0.62) MAPTCA1CA2MEN1KMT2A
SCHEMBL1853362 0.73 ALOX15 (0.62) MAPTCA1CA2MEN1KMT2A

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-0500807-B1 TISSUE MOISTURIZING COMPOSITION AND METHOD COLUMBIA LAB INC (US) 1999-07-07 EP disclosed