SCHEMBL8377397

SCHEMBL8377397

COc1ccccc1-c1cc(OCCNC(=O)OC(C)(C)C)no1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 11/20 0.58
HPGD P15428 9/20 0.58
ALDH1A1 P00352 8/20 0.58
KDM4E B2RXH2 8/20 0.58
RAB9A P51151 6/20 0.58
MAPT P10636 9/20 0.50
NPC1 O15118 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
LMNA P02545 3/20 0.50
GAA P10253 2/20 0.50
THRB P10828 1/20 0.50
NPSR1 Q6W5P4 5/20 0.49
TP53 P04637 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALOX15 P16050 1/20 0.47
PDK2 Q15119 1/20 0.45
POLB P06746 1/20 0.45
TSHR P16473 1/20 0.44

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
SCHEMBL8377366 0.88 PDK2 (0.46) HSD17B10HPGDALDH1A1KDM4ERAB9A
SCHEMBL8377376 0.87 PDK2 (0.46) HSD17B10HPGDALDH1A1KDM4ERAB9A
SCHEMBL8375694 0.85 NQO2 (0.44) HSD17B10HPGDALDH1A1KDM4ERAB9A
SCHEMBL8380157 0.85 PDK2 (0.48) HSD17B10HPGDALDH1A1KDM4ERAB9A
SCHEMBL8378941 0.84 GABRA5 (0.46) RAB9ASMN1; SMN2KMT2APDK2
SCHEMBL8374999 0.83 PDK2 (0.44) HSD17B10HPGDALDH1A1KDM4ERAB9A
SCHEMBL31725152 0.82 HPGD (0.48) HSD17B10HPGDALDH1A1KDM4ERAB9A
SCHEMBL8375557 0.82 BCHE (0.47) PDK2
SCHEMBL8380153 0.82 ACKR3 (0.44) PDK2
SCHEMBL8380141 0.81 NPC1 (0.51) HSD17B10HPGDALDH1A1RAB9AMAPT

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