SCHEMBL6993965

SCHEMBL6993965

NCCOc1noc2cccc(C(=O)O)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39
AURKB Q96GD4 6/20 0.39
HMGB1 P09429 1/20 0.37
HSD17B10 Q99714 1/20 0.35
G6PD P11413 1/20 0.35
CASP7 P55210 1/20 0.35
CASP6 P55212 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 1/20 0.35
PTK2B Q14289 1/20 0.35
AURKA O14965 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
NAPRT Q6XQN6 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
TTR P02766 1/20 0.33
PLAU P00749 1/20 0.33
KIT P10721 1/20 0.33
KDR P35968 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
Hydrochloric Acid SCHEMBL5618216 0.88 ALDH1A1 (0.39) FAAHMGLLAURKBHSD17B10ALDH1A1
SCHEMBL6991760 0.85 FAAH (0.42) FAAHMGLLAURKBTAAR1KDM4E
SCHEMBL6988534 0.85 FAAH (0.39) FAAHMGLLAURKBHSD17B10ALDH1A1
Hydrochloric Acid SCHEMBL6990615 0.84 FAAH (0.39) FAAHMGLLAURKBHSD17B10ALDH1A1
SCHEMBL6990578 0.80 FAAH (0.39) FAAHMGLLAURKBKMT2ATAAR1
SCHEMBL6987697 0.80 FAAH (0.39) FAAHMGLLAURKBTAAR1KDM4E
SCHEMBL6988477 0.79 KDM4E (0.43) FAAHMGLLAURKBHMGB1HSD17B10
SCHEMBL6996394 0.78 FAAH (0.38) FAAHMGLLAURKBTAAR1KDM4E
SCHEMBL6989881 0.78 FAAH (0.41) FAAHMGLLAURKBTAAR1KDM4E
Hydrochloric Acid SCHEMBL6991233 0.78 FAAH (0.38) FAAHMGLLAURKBTAAR1KDM4E

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