SCHEMBL18868657

SCHEMBL18868657

COC(=O)/C=C/C[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](O)COCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.41
RCE1 Q9Y256 1/20 0.37
CA1 P00915 3/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TACR1 P25103 2/20 0.35
SLC1A1 P43005 1/20 0.35
NPC1 O15118 1/20 0.35
FOLH1 Q04609 1/20 0.34
PPARA Q07869 1/20 0.34

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
SCHEMBL21283006 0.91 MAPT (0.46) MAPTHTTKMT2ARCE1CA1
SCHEMBL14429286 0.82 KMT2A (0.43) MAPTHTTKMT2ARCE1CA1
SCHEMBL16429136 0.81 CA1 (0.43) HTTKMT2ACA1CA2CA7
SCHEMBL9837867 0.81 CA1 (0.43) HTTKMT2ACA1CA2CA7
SCHEMBL14429284 0.78 KMT2A (0.43) HTTKMT2ACA1CA2CA7
SCHEMBL12636372 0.78 KMT2A (0.50) MAPTHTTKMT2ACA1CA2
SCHEMBL26759878 0.78 MAPT (0.43) MAPTKMT2ARCE1CYP3A4CYP2C9
SCHEMBL23867737 0.77 MAPT (0.43) MAPTKMT2ARCE1CYP2C9CYP2C19
SCHEMBL21283007 0.76 KMT2A (0.42) HTTKMT2ACA1CA2CA7
SCHEMBL6101469 0.75 CA1 (0.47) MAPTHTTKMT2ACA1CA2

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-2017083830-A1 SPHINGAMIDE COMPOUNDS AND METHODS FOR BINDING INKT CELLS LA JOLLA INSTITUTE FOR ALLERGY AND IMMUNOLOGY (US) 2017-05-18 WO disclosed