SCHEMBL8375503

SCHEMBL8375503

CC(C)(C)OC(=O)NCCOc1cc(-c2cccs2)on1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.55
LMNA P02545 5/20 0.55
HPGD P15428 4/20 0.55
SMN1; SMN2 Q16637 7/20 0.46
NPC1 O15118 6/20 0.46
MEN1 O00255 7/20 0.45
KMT2A Q03164 7/20 0.45
ESR1 P03372 1/20 0.44
MAPT P10636 4/20 0.43
NPSR1 Q6W5P4 2/20 0.43
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 5/20 0.42
POLB P06746 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
TP53 P04637 3/20 0.41
PLEC Q15149 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL8378941 0.84 GABRA5 (0.46) RAB9ASMN1; SMN2KMT2ACA12CA1
SCHEMBL8375557 0.82 BCHE (0.47) CA12CA1CA2CA9
SCHEMBL8377366 0.81 PDK2 (0.46) RAB9AHPGDSMN1; SMN2NPC1MEN1
SCHEMBL8376833 0.81 LMNA (0.43) LMNAHPGDMEN1KMT2AKDM4E
SCHEMBL8379534 0.81 TP53 (0.47) RAB9AHPGDNPC1ALDH1A1KDM4E
SCHEMBL8375551 0.81 HDAC1 (0.44) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL8377376 0.80 PDK2 (0.46) RAB9ALMNAHPGDSMN1; SMN2NPC1
SCHEMBL8375813 0.80 FAAH (0.45) CA12CA1CA2CA9
SCHEMBL8375763 0.80 IDO1 (0.44) LMNASMN1; SMN2MAPTPOLBCA12
SCHEMBL8378887 0.80 CA12 (0.45) CA12CA1CA2CA9

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