SCHEMBL8377355

SCHEMBL8377355

Cc1ccc(-c2onc(OCCN(C=O)OC(C)(C)C)c2C(C)C)cc1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
PTK2B Q14289 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PSMB5 P28074 1/20 0.30

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
SCHEMBL8376446 0.91 MAPT (0.31) KDM4ENPC1ALDH1A1POLBMAPT
SCHEMBL8375766 0.91 TSHR (0.31)
SCHEMBL8378808 0.84 CHRNB2 (0.33) KDM4ENPC1MAPTRAB9ASMN1; SMN2
SCHEMBL8377358 0.83 TSHR (0.32) ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL8375800 0.82 ALDH1A1 (0.33) NPC1ALDH1A1RAB9A
SCHEMBL8375679 0.81 NPC1 (0.31) NPC1RAB9ASMN1; SMN2
SCHEMBL8377412 0.81 TSHR (0.31)
SCHEMBL8377411 0.81 TSHR (0.31)
SCHEMBL8377392 0.80 PPARD (0.33)
SCHEMBL8377387 0.80 KCNH2 (0.30)

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