SCHEMBL8720035

SCHEMBL8720035

COc1ccccc1CC(C)[C@@H](N)[C@H](O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 2/20 0.45
ADRA2A P08913 1/20 0.45
ADRA2C P18825 1/20 0.45
HIF1A Q16665 1/20 0.45
KDM4E B2RXH2 1/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
CYP2D6 P10635 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
HTR7 P34969 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KCNH2 Q12809 1/20 0.44
BCHE P06276 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
IDO1 P14902 2/20 0.41

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
SCHEMBL8720039 1.00 ATM (0.46) ATML3MBTL1LMNAADRA2AADRA2C
SCHEMBL8713546 0.91 SMN1; SMN2 (0.41) LMNAKMT2ACYP2D6SLC6A2SLC6A4
SCHEMBL8713544 0.91 SMN1; SMN2 (0.41) LMNAKMT2ACYP2D6SLC6A2SLC6A4
SCHEMBL8717462 0.89 KMT2A (0.41) LMNAKDM4EKMT2AMEN1CYP2D6
SCHEMBL8717465 0.89 KMT2A (0.41) LMNAKDM4EKMT2AMEN1CYP2D6
SCHEMBL8717141 0.87 AOC3 (0.39) ATML3MBTL1KMT2AMEN1CYP2D6
SCHEMBL8717142 0.87 AOC3 (0.39) ATML3MBTL1KMT2AMEN1CYP2D6
SCHEMBL8716176 0.87 IDO1 (0.42) LMNAADRA2AKMT2AMEN1CYP2D6
SCHEMBL8716177 0.87 IDO1 (0.42) LMNAADRA2AKMT2AMEN1CYP2D6
SCHEMBL8715306 0.86 MEN1 (0.40) KMT2AMEN1CYP2D6SLC6A2SLC6A4

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