SCHEMBL8375760

SCHEMBL8375760

CC(C)c1c(OCCNC(=O)OC(C)(C)C)noc1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.43
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
S1PR1 P21453 1/20 0.42
GABRA5 P31644 1/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
SCN9A Q15858 1/20 0.41
SUCNR1 Q9BXA5 3/20 0.40
PDK2 Q15119 1/20 0.39
NPSR1 Q6W5P4 4/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
MALT1 Q9UDY8 1/20 0.38

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
SCHEMBL8377356 0.93 S1PR1 (0.44) IDO1CKS1BSKP1SKP2S1PR1
SCHEMBL8377410 0.91 S1PR1 (0.42) IDO1CKS1BSKP1SKP2S1PR1
SCHEMBL8377351 0.91 CA12 (0.40) IDO1S1PR1GABRA5CA12CA1
SCHEMBL8376442 0.90 LMNA (0.40) IDO1S1PR1CA12CA1CA2
SCHEMBL8376923 0.89 S1PR1 (0.41) IDO1CKS1BSKP1SKP2S1PR1
SCHEMBL8378805 0.89 IDO1 (0.42) IDO1CKS1BSKP1SKP2S1PR1
SCHEMBL8378816 0.89 S1PR1 (0.42) IDO1CKS1BSKP1SKP2S1PR1
SCHEMBL8377409 0.86 PDK2 (0.41) IDO1S1PR1CA12CA1CA2
SCHEMBL8380070 0.86 IDO1 (0.45) IDO1CKS1BSKP1SKP2S1PR1
SCHEMBL8375518 0.86 GABRA5 (0.46) IDO1CKS1BSKP1SKP2S1PR1

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-6005116-A HAVE INHIBITION ACTIVITIES AGAINST TYPE A-MONOAMINE OXIDASE; TREATING OR PREVENTING DEPRESSION, PARKINSON'S DISEASE, ALZEHEIMER'S DEMENTIA, OR CEREBROVASCULAR DEMENTIA SANKYO COMPANY, LIMITED (JP) 1999-12-21 US disclosed
EP-0885891-A1 ISOXAZOLE DERIVATIVES SANKYO COMPANY LIMITED (JP) 1998-12-23 EP disclosed