SCHEMBL8713152

SCHEMBL8713152

COc1ccc(CC(C)(C[C@H](N)O)c2cccc(Cl)c2F)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
NR3C1 P04150 7/20 0.38
NR3C2 P08235 4/20 0.38
CASR P41180 1/20 0.38
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
CFTR P13569 1/20 0.36
PGR P06401 1/20 0.36
ATM Q13315 1/20 0.36
STAT3 P40763 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP19A1 P11511 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL8719246 0.89 ATM (0.40) MAPK1NR3C1NR3C2CASRKMT2A
SCHEMBL8720032 0.85 KDM4E (0.40) LMNANR3C1NR3C2KMT2AMEN1
SCHEMBL8718953 0.83 STAT3 (0.41) LMNANR3C1CASRKMT2AMEN1
SCHEMBL8713610 0.83 LMNA (0.43) LMNANR3C1NR3C2CASRPGR
SCHEMBL8716671 0.81 ADRB2 (0.40) LMNAKMT2AMEN1ATMSTAT3
SCHEMBL8713354 0.81 ALOX15 (0.40) KMT2AMEN1ATMSTAT3ALDH1A1
SCHEMBL8433303 0.79 MEN1 (0.39) LMNANR3C1CASRKMT2AMEN1
SCHEMBL8433905 0.79 MEN1 (0.39) LMNANR3C1CASRKMT2AMEN1
SCHEMBL8718432 0.78 LMNA (0.40) LMNAMAPK1KMT2AMEN1ATM
SCHEMBL8713922 0.78 LMNA (0.49) LMNAKMT2AMEN1ATMSTAT3

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