SCHEMBL8720032

SCHEMBL8720032

COc1ccc(CC(C)(C[C@H](N)O)c2ccccc2F)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ATM Q13315 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ADRB2 P07550 2/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
STAT3 P40763 1/20 0.39
CYP19A1 P11511 1/20 0.39
MMP1 P03956 1/20 0.39
CA2 P00918 1/20 0.38
NR3C1 P04150 2/20 0.38
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
LDHA P00338 1/20 0.37
NR3C2 P08235 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL8718953 0.90 STAT3 (0.41) KDM4EATMMEN1KMT2AADRB2
SCHEMBL8716671 0.88 ADRB2 (0.40) KDM4EATMMEN1KMT2AADRB2
SCHEMBL8713354 0.88 ALOX15 (0.40) KDM4EATMMEN1KMT2AADRB2
SCHEMBL8719246 0.87 ATM (0.40) KDM4EATMKMT2AADRB2ADRB1
SCHEMBL8713152 0.85 RAB9A (0.39) ATMMEN1KMT2ASTAT3CYP19A1
SCHEMBL8713860 0.84 HTT (0.47) KDM4EATMMEN1KMT2AADRB2
SCHEMBL8718108 0.83 ABCB1 (0.46) KDM4EATMMEN1KMT2AHTT
SCHEMBL8720320 0.81 NR3C1 (0.41) MEN1KMT2AL3MBTL1NR3C1LMNA
SCHEMBL8712989 0.80 MMP1 (0.43) KDM4EATMKMT2ASTAT3CYP19A1
SCHEMBL8715550 0.79 SMN1; SMN2 (0.47) KDM4ESTAT3CYP19A1HTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5811293-A CULTURE PRODUCT AS CHEMICAL INTERMEDIATE FOR ANTI-OBESITY AGENT DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-22 US disclosed