SCHEMBL8377358

SCHEMBL8377358

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

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPK1 P28482 2/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
PTGS1 P23219 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
LPAR1 Q92633 1/20 0.30
LPAR3 Q9UBY5 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
SCHEMBL8377412 0.92 TSHR (0.31) TSHR
SCHEMBL8375766 0.92 TSHR (0.31) TSHR
SCHEMBL8378822 0.90 RECQL (0.30)
SCHEMBL8375523 0.84 HRH3 (0.33) ALDH1A1PTGS1MAPTLPAR1LPAR3
SCHEMBL8378845 0.84 S1PR1 (0.32)
SCHEMBL8375562 0.84 PTGS1 (0.31) TRPV1PTGS1
SCHEMBL8376486 0.84 PTGS1 (0.38) ALDH1A1MAPK1HPGDPTGS1SMN1; SMN2
SCHEMBL8380071 0.83 TRPV1 (0.32) ALDH1A1TRPV1PTGS1
SCHEMBL8377362 0.83 MEN1 (0.39) ALDH1A1PTGS1
SCHEMBL8380040 0.83 MEN1 (0.32) ALDH1A1PTGS1

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