SCHEMBL8375019

SCHEMBL8375019

CC(C)(C)ON(C=O)CCOc1cc(-c2ccc(Cl)c(Cl)c2)on1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.41
MAPT P10636 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 3/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
NPC1 O15118 9/20 0.38
RAB9A P51151 9/20 0.38
LMNA P02545 3/20 0.38
POLB P06746 1/20 0.38
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HPGD P15428 4/20 0.34
ALDH1A1 P00352 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.33

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
SCHEMBL8375770 0.89 CXCR1 (0.43) NOTUMMAPTTDP1NPC1RAB9A
SCHEMBL8374994 0.88 THRB (0.38) MAPTLMNAPOLBTP53HPGD
SCHEMBL8380099 0.87 TP53 (0.42) MAPTMAPK1NPC1RAB9ATP53
SCHEMBL8375555 0.86 NPC1 (0.35) MAPTTDP1TSHRHTTNPC1
SCHEMBL8378889 0.85 CXCR1 (0.32) CYP1A2CYP2C19
SCHEMBL8379540 0.85 ALDH1A1 (0.38) TDP1TSHRNPC1RAB9APOLB
SCHEMBL8376906 0.85 CXCR1 (0.40) MAPTHTTNPC1RAB9ALMNA
SCHEMBL8375559 0.85 CXCR1 (0.41) NPC1RAB9AALDH1A1
SCHEMBL8378946 0.85 CXCR1 (0.40) ALDH1A1
SCHEMBL8376838 0.84 NR1H4 (0.32) MAPTMEN1KMT2A

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