SCHEMBL6583482

SCHEMBL6583482

COc1ccc(-c2[nH]nc(C(=O)C(C)c3ccc(CC(C)C)cc3)c2N)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
CXCR1 P25024 3/20 0.42
CXCR2 P25025 3/20 0.42
TPH1 P17752 2/20 0.39
FAAH O00519 1/20 0.39
PTGS1 P23219 3/20 0.39
PTGS2 P35354 3/20 0.39
LMNA P02545 3/20 0.39
CYP2C9 P11712 2/20 0.39
AKR1C3 P42330 2/20 0.39
ALB P02768 1/20 0.39
ESR1 P03372 1/20 0.39
ALOX5 P09917 1/20 0.39
RARB P10826 1/20 0.39
ADRB3 P13945 1/20 0.39
NFKB1 P19838 1/20 0.39

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
SCHEMBL6583819 0.79 AKR1C3 (0.47) MAPTMEN1KMT2AFAAHPTGS1
SCHEMBL6585213 0.73 NPY5R (0.55) MAPTGAACXCR1CXCR2FAAH
SCHEMBL6583477 0.69 EPHX1 (0.45) EPHX1CXCR1CXCR2TPH1FAAH
SCHEMBL4711533 0.69 KDM4E (0.57) MAPTMEN1GAAKMT2ALMNA
SCHEMBL23318187 0.67 MAPT (0.53) MAPTMEN1GAAKMT2ALMNA
SCHEMBL13545406 0.64 MAPT (0.49) MAPTMEN1GAAKMT2ALMNA
SCHEMBL1883571 0.64 EPHX1 (1.00) EPHX1MAPTGAACXCR1CXCR2
SCHEMBL260688 0.64 EPHX1 (1.00) EPHX1MAPTGAACXCR1CXCR2
SCHEMBL3152241 0.64 EPHX1 (1.00) EPHX1MAPTGAACXCR1CXCR2
SCHEMBL8299088 0.64 ALPL (0.55) MAPTMEN1GAAKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0945440-B1 AMINOPYRAZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-05-26 EP claimed
US-6180653-B1 EATING DISORDERS; DIETETICS; ANTIDIABETIC AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 2001-01-30 US claimed
US-6180653-B1 EATING DISORDERS; DIETETICS; ANTIDIABETIC AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 2001-01-30 US disclosed