SCHEMBL6988477

SCHEMBL6988477

CC(=O)Oc1cccc2onc(OCCN)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
HSD17B10 Q99714 4/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPK1 P28482 1/20 0.37
HTR4 Q13639 8/20 0.36
HPGD P15428 2/20 0.36
ALDH1A1 P00352 1/20 0.36
ESR1 P03372 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
HMGB1 P09429 1/20 0.36
TSHR P16473 1/20 0.36
GGT1 P19440 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
BLM P54132 1/20 0.36
NAPRT Q6XQN6 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
FAAH O00519 1/20 0.36

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
SCHEMBL6990277 0.83 KCNA5 (0.43) KDM4EHTR4FAAHMGLL
Hydrochloric Acid SCHEMBL6994636 0.82 KCNA5 (0.43) KDM4ERAB9AMAPK1HTR4FAAH
SCHEMBL6993965 0.79 FAAH (0.39) KDM4EHSD17B10ALDH1A1HMGB1NAPRT
SCHEMBL6988534 0.79 FAAH (0.39) HSD17B10ALDH1A1TSHRTDP1FAAH
SCHEMBL6991760 0.78 FAAH (0.42) KDM4ENPC1RAB9AHTR4ESR1
Hydrochloric Acid SCHEMBL5618216 0.78 ALDH1A1 (0.39) KDM4EHSD17B10HPGDALDH1A1TSHR
Hydrochloric Acid SCHEMBL6990615 0.78 FAAH (0.39) HSD17B10ALDH1A1TSHRTDP1FAAH
SCHEMBL6989881 0.77 FAAH (0.41) KDM4EHTR4FAAHMGLLAURKB
SCHEMBL6993657 0.77 HTR4 (0.36) KDM4ERAB9AMAPK1HTR4FAAH
SCHEMBL6990578 0.76 FAAH (0.39) KDM4EHTR4FAAHMGLLAURKB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0779281-B1 ISOXAZOLES SANKYO CO (JP) 2003-10-29 EP claimed
EP-0779281-A1 ISOXAZOLES SANKYO COMPANY LIMITED (JP) 1997-06-18 EP claimed
EP-0779281-B1 ISOXAZOLES SANKYO CO (JP) 2003-10-29 EP disclosed
US-6096771-A ISOXAZOLE DERIVATIVES EXHIBITING EXCELLENT TYPE B AND TYPE A MONOAMINE OXIDASE INHIBITORY ACTIVITIES, THEREFORE USEFUL FOR PREVENTING PARKINSON'S DISEASE, DEPRESSION AND ALZHEIMER'S DISEASE SANKYO COMPANY, LIMITED (JP) 2000-08-01 US disclosed
US-5965591-A MONOAMINE OXIDASE INHIBITOR; FOR PROPHYLAXIS AND TREATING PARKINSON'S DISEASE, DEPRESSION AND ALZHEIMER'S DISEASE SANKYO COMPANY, LIMITED (JP) 1999-10-12 US disclosed
EP-0779281-A1 ISOXAZOLES SANKYO COMPANY LIMITED (JP) 1997-06-18 EP disclosed