SCHEMBL8375720

SCHEMBL8375720

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

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.37
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PPARD Q03181 1/20 0.33
POLB P06746 3/20 0.32
IP6K1 Q92551 2/20 0.32
IP6K2 Q9UHH9 2/20 0.32
LMNA P02545 1/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
PTPN1 P18031 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
IP6K3 Q96PC2 1/20 0.30
TSHR P16473 1/20 0.30
HSP90AA1 P07900 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
SCHEMBL8376486 0.93 PTGS1 (0.38) PTGS1KDM4EALDH1A1MEN1KMT2A
SCHEMBL8377323 0.91 PTGS1 (0.37) PTGS1KDM4EALDH1A1MEN1KMT2A
SCHEMBL8376588 0.90 PTGS1 (0.48) PTGS1ALDH1A1PPARDIP6K1IP6K2
SCHEMBL8378828 0.89 PTGS1 (0.38) PTGS1KDM4EPPARDIP6K1IP6K2
SCHEMBL8375523 0.85 HRH3 (0.33) PTGS1KDM4EALDH1A1MEN1KMT2A
SCHEMBL8375562 0.84 PTGS1 (0.31) PTGS1IP6K1IP6K2
SCHEMBL8380071 0.84 TRPV1 (0.32) PTGS1KDM4EALDH1A1MEN1KMT2A
SCHEMBL8377362 0.84 MEN1 (0.39) PTGS1KDM4EALDH1A1MEN1KMT2A
SCHEMBL8380040 0.84 MEN1 (0.32) PTGS1KDM4EALDH1A1MEN1KMT2A
SCHEMBL8378864 0.84 S1PR1 (0.32) PTGS1KDM4EALDH1A1MEN1KMT2A

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