SCHEMBL8713860

SCHEMBL8713860

COc1ccc(CC(C)(C[C@H](N)O)c2ccccc2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KIF11 P52732 1/20 0.43
ADRB2 P07550 1/20 0.43
LDHA P00338 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
STAT3 P40763 1/20 0.42
CYP19A1 P11511 1/20 0.41
ALDH1A1 P00352 3/20 0.41
CA2 P00918 1/20 0.41
SIGMAR1 Q99720 3/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ATM Q13315 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
EDNRB P24530 1/20 0.39
EDNRA P25101 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
SCHEMBL8714103 0.89 EPHX2 (0.41) SMN1; SMN2ADRB2LDHASTAT3CYP19A1
SCHEMBL8717242 0.89 ESR1 (0.46) ADRB2LDHASTAT3CYP19A1ALDH1A1
SCHEMBL8716946 0.88 ADRB2 (0.41) HTTSMN1; SMN2ADRB2LDHASTAT3
SCHEMBL8713922 0.88 LMNA (0.49) HTTLDHAMEN1KMT2ASTAT3
SCHEMBL8712989 0.88 MMP1 (0.43) SMN1; SMN2KMT2ASTAT3CYP19A1CA2
SCHEMBL8433905 0.87 MEN1 (0.39) HTTSMN1; SMN2KIF11MEN1KMT2A
SCHEMBL8715550 0.87 SMN1; SMN2 (0.47) HTTSMN1; SMN2STAT3CYP19A1ALDH1A1
SCHEMBL8433303 0.87 MEN1 (0.39) HTTSMN1; SMN2KIF11MEN1KMT2A
SCHEMBL8718953 0.86 STAT3 (0.41) HTTSMN1; SMN2ADRB2LDHAMEN1
SCHEMBL8713354 0.84 ALOX15 (0.40) HTTSMN1; SMN2ADRB2LDHAMEN1

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