SCHEMBL8945204

SCHEMBL8945204

Cc1ccc2onc(OCC3COC(C)(C)N3C(=O)OC(C)(C)C)c2c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.38
MAPT P10636 6/20 0.37
TP53 P04637 6/20 0.37
POLB P06746 1/20 0.35
SPHK1 Q9NYA1 1/20 0.35
SSTR4 P31391 1/20 0.35
BRD4 O60885 1/20 0.35
HSD11B2 P80365 1/20 0.34
THRB P10828 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL8945093 0.90 FAAH (0.41) MAPTTP53SPHK1SSTR4BRD4
SCHEMBL30308963 0.80 HTT (0.41) MAPTPOLBSPHK1BRD4HSD11B2
SCHEMBL22116166 0.80 HTT (0.41) MAPTPOLBSPHK1BRD4HSD11B2
SCHEMBL31752274 0.76 SPHK1 (0.38) SPHK1BRD4HSD11B2
SCHEMBL3612721 0.74 SPHK1 (0.44) SPHK1BRD4HSD11B2
SCHEMBL19357528 0.74 SPHK1 (0.44) SPHK1BRD4HSD11B2
SCHEMBL3612715 0.74 SPHK1 (0.44) SPHK1BRD4HSD11B2
SCHEMBL4346836 0.74 SPHK1 (0.40) MAPTSPHK1BRD4HSD11B2
SCHEMBL4346843 0.74 SPHK1 (0.40) MAPTSPHK1BRD4HSD11B2
SCHEMBL2669188 0.74 SPHK1 (0.40) MAPTSPHK1BRD4HSD11B2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5578627-A FOR TREATING CEREBRAL CIRCULATORY DISORDER, HEAD INJURY SEQUELAE AND/OR EPILEPSY TOYAMA CHEMICAL CO., LTD. (JP) 1996-11-26 US disclosed
EP-0665226-A1 NOVEL 1,2-BENZISOXAZOLE DERIVATIVE OR SALT THEREOF, AND BRAIN PROTECTIVE AGENT COMPRISING THE SAME TOYAMA CHEMICAL CO., LTD. (JP) 1995-08-02 EP disclosed