SCHEMBL8375764

SCHEMBL8375764

[O]C(Cl)(Cl)CCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.44
MAOA P21397 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
CASP1 P29466 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KEAP1 Q14145 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP2A6 P11509 1/20 0.42
HTR2A P28223 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
FDPS P14324 2/20 0.42
HDAC3 O15379 1/20 0.40
MAPK1 P28482 1/20 0.40
ADRA1A P35348 1/20 0.40
HDAC4 P56524 1/20 0.40

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
SCHEMBL8376475 0.86 HDAC3 (0.47) MAOBMAOATDP1SMN1; SMN2HTR2A
SCHEMBL8375527 0.80 FDPS (0.50) MAOBALDH1A1SMN1; SMN2TAAR1FDPS
SCHEMBL5529055 0.80 ALDH1A1 (0.48) MAOBMAOAALDH1A1HPGDALOX15
SCHEMBL5249462 0.80 ALDH1A1 (0.48) MAOBMAOAALDH1A1HPGDALOX15
SCHEMBL5529047 0.80 ALDH1A1 (0.48) MAOBMAOAALDH1A1HPGDALOX15
Phosphine SCHEMBL9623189 0.77 MAOB (0.41) MAOBMAOAALDH1A1HPGDALOX15
SCHEMBL28408596 0.76 ALDH1A1 (0.44) MAOBMAOAALDH1A1HPGDALOX15
SCHEMBL6602991 0.76 ALDH1A1 (0.44) MAOBMAOAALDH1A1HPGDALOX15
SCHEMBL11243923 0.76 ALDH1A1 (0.44) MAOBMAOAALDH1A1HPGDALOX15
SCHEMBL11243960 0.76 ALDH1A1 (0.44) MAOBMAOAALDH1A1HPGDALOX15

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