SCHEMBL8494181

SCHEMBL8494181

COc1ccc([C@H]2CN(c3ccc(OC)cc3)C2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
DDB1 Q16531 1/20 0.49
CRBN Q96SW2 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 1/20 0.46
HSD11B1 P28845 1/20 0.45
HTR2C P28335 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 1/20 0.44
PKM P14618 1/20 0.44
RAB9A P51151 1/20 0.44
MGLL Q99685 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
GRM2 Q14416 1/20 0.43
ATM Q13315 1/20 0.42

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
SCHEMBL2800406 1.00 POLB (0.50) POLBDDB1CRBNMEN1KMT2A
SCHEMBL8495437 0.92 ATM (0.51) DDB1CRBNMEN1KMT2AALDH1A1
SCHEMBL8495439 0.92 ATM (0.51) DDB1CRBNMEN1KMT2AALDH1A1
SCHEMBL10691676 0.84 HTR2C (0.60) DDB1CRBNMEN1KMT2AALDH1A1
SCHEMBL14140969 0.79 POLB (0.53) POLBALDH1A1HSD11B1NPC1PKM
SCHEMBL14140972 0.79 POLB (0.53) POLBALDH1A1HSD11B1NPC1PKM
SCHEMBL7351360 0.78 HTR2C (0.56) MEN1KMT2AALDH1A1HSD11B1HTR2C
SCHEMBL28950554 0.78 POLB (0.51) POLBALDH1A1HSD11B1NPC1PKM
SCHEMBL28950551 0.78 POLB (0.51) POLBALDH1A1HSD11B1NPC1PKM
SCHEMBL28439668 0.78 POLB (0.51) POLBHSD11B1SMN1; SMN2NPC1PKM

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
EP-0720599-B1 HYDROXY-SUBSTITUTED AZETIDINONE COMPOUNDS USEFUL AS HYPOCHOLESTEROLEMIC AGENTS SCHERING CORP (US) 1999-05-19 EP claimed