SCHEMBL8718953

SCHEMBL8718953

COc1ccc(CC(C)(C[C@H](N)O)c2ccccc2OC)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.41
CYP19A1 P11511 1/20 0.40
CA2 P00918 1/20 0.40
ADRB2 P07550 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ATM Q13315 1/20 0.39
LDHA P00338 1/20 0.39
NR3C1 P04150 2/20 0.39
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 2/20 0.38
ABCB1 P08183 1/20 0.38
POLB P06746 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL8716671 0.90 ADRB2 (0.40) STAT3CYP19A1CA2ADRB2KDM4E
SCHEMBL8720032 0.90 KDM4E (0.40) STAT3CYP19A1CA2ADRB2KDM4E
SCHEMBL8713354 0.90 ALOX15 (0.40) STAT3CYP19A1CA2ADRB2KDM4E
SCHEMBL8718108 0.90 ABCB1 (0.46) KDM4EATMHTTSMN1; SMN2ABCB1
SCHEMBL8719246 0.89 ATM (0.40) STAT3CYP19A1CA2ADRB2KDM4E
SCHEMBL8713860 0.86 HTT (0.47) STAT3CYP19A1CA2ADRB2KDM4E
SCHEMBL8713152 0.83 RAB9A (0.39) STAT3CYP19A1ATMNR3C1SMN1; SMN2
SCHEMBL8716180 0.82 IDO1 (0.41) ATMNR3C1HTTSMN1; SMN2ALDH1A1
SCHEMBL8717242 0.80 ESR1 (0.46) STAT3CYP19A1CA2ADRB2KDM4E
SCHEMBL8714103 0.80 EPHX2 (0.41) STAT3CYP19A1CA2ADRB2KDM4E

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