SCHEMBL8945093

SCHEMBL8945093

CC(C)(C)OC(=O)N1C(COc2noc3ccc(Cl)cc23)COC1(C)C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.41
BRD4 O60885 1/20 0.40
EPHA2 P29317 2/20 0.35
SPHK1 Q9NYA1 1/20 0.35
SSTR4 P31391 1/20 0.35
TP53 P04637 2/20 0.34
HSD11B2 P80365 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 1/20 0.33
HTR2A P28223 1/20 0.33
DRD3 P35462 1/20 0.33
MAPT P10636 3/20 0.33
ERBB2 P04626 1/20 0.33
EPHB4 P54760 1/20 0.33
THRB P10828 1/20 0.32

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
SCHEMBL8945204 0.90 HTR2C (0.38) BRD4SPHK1SSTR4TP53HSD11B2
SCHEMBL31752274 0.76 SPHK1 (0.38) BRD4EPHA2SPHK1HSD11B2
SCHEMBL3612721 0.73 SPHK1 (0.44) BRD4SPHK1HSD11B2KMT2A
SCHEMBL19357528 0.73 SPHK1 (0.44) BRD4SPHK1HSD11B2KMT2A
SCHEMBL3612715 0.73 SPHK1 (0.44) BRD4SPHK1HSD11B2KMT2A
SCHEMBL18959547 0.73 BRD4 (0.47) BRD4SPHK1HSD11B2ALDH1A1KMT2A
SCHEMBL15209134 0.72 SPHK1 (0.48) BRD4SPHK1HSD11B2
SCHEMBL15209132 0.72 SPHK1 (0.48) BRD4SPHK1HSD11B2
SCHEMBL1833586 0.72 BRD4 (0.47) BRD4SPHK1ALDH1A1KMT2A
SCHEMBL1833587 0.72 BRD4 (0.47) BRD4SPHK1ALDH1A1KMT2A

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