SCHEMBL8965049

SCHEMBL8965049

CCCCCCCCCCCCCCC[C@@H](O)[C@@H](COCc1ccccc1)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.52
CA1 P00915 3/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
KMT2A Q03164 1/20 0.43
CETP P11597 3/20 0.43
HTT P42858 1/20 0.39
CTRC Q99895 1/20 0.39
TACR1 P25103 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
SCHEMBL11153765 0.87 CSNK1E (0.54) CSNK1ECETPHTTCTRC
SCHEMBL10603221 0.87 CSNK1E (0.54) CSNK1ECETPHTTCTRC
SCHEMBL22571978 0.85 CA1 (0.54) CA1CA2CA7CA9KMT2A
SCHEMBL11130490 0.83 USP2 (0.47) CSNK1ECETPHTT
SCHEMBL31287893 0.82 CA1 (0.57) CSNK1ECA1CA2CA7CA9
SCHEMBL30342950 0.82 CA1 (0.57) CSNK1ECA1CA2CA7CA9
SCHEMBL9661280 0.82 CA1 (0.57) CSNK1ECA1CA2CA7CA9
SCHEMBL10798501 0.82 CA1 (0.57) CSNK1ECA1CA2CA7CA9
SCHEMBL10844759 0.82 CA1 (0.57) CSNK1ECA1CA2CA7CA9
SCHEMBL31362241 0.82 CA1 (0.57) CSNK1ECA1CA2CA7CA9

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-5587494-A Practical, cost-efficient chiral synthesis of dihydrosphingosines THE BOARD OF GOVERNORS FOR HIGHER EDUCATION, STATE OF RHODE ISLAND AND PROVIDENCE PLANTATIONS (US) 1996-12-24 US disclosed