SCHEMBL8554715

SCHEMBL8554715

COc1ccc(CN2C(=O)COc3ccccc32)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 1.00
ALDH1A1 P00352 1/20 0.67
SMPD1 P17405 1/20 0.64
TSHR P16473 1/20 0.59
CBX7 O95931 1/20 0.57
CDYL2 Q8N8U2 1/20 0.57
CDYL Q9Y232 1/20 0.57
CDY1; CDY1B Q9Y6F8 1/20 0.57
OPRK1 P41145 1/20 0.56
DRD4 P21917 1/20 0.54
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
APAF1 O14727 1/20 0.53
GAA P10253 1/20 0.53
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
GSK3B P49841 2/20 0.52
ADK P55263 1/20 0.52

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
SCHEMBL15874599 0.84 L3MBTL1 (0.72) L3MBTL1ALDH1A1SMPD1GSK3BCMA1
SCHEMBL6096108 0.84 L3MBTL1 (0.72) L3MBTL1ALDH1A1SMPD1CBX7CDYL2
SCHEMBL15176632 0.83 L3MBTL1 (0.70) L3MBTL1ALDH1A1SMPD1KMT2AMEN1
SCHEMBL8554042 0.83 L3MBTL1 (0.70) L3MBTL1ALDH1A1TSHRCBX7CDYL2
SCHEMBL633743 0.83 L3MBTL1 (0.70) L3MBTL1ALDH1A1SMPD1KMT2AMEN1
SCHEMBL6096494 0.83 L3MBTL1 (0.70) L3MBTL1ALDH1A1SMPD1CBX7CDYL2
SCHEMBL31667554 0.82 L3MBTL1 (0.70) L3MBTL1ALDH1A1TSHRDRD4KMT2A
SCHEMBL16131515 0.82 L3MBTL1 (0.70) L3MBTL1ALDH1A1SMPD1KMT2AMEN1
SCHEMBL30047638 0.80 L3MBTL1 (0.67) L3MBTL1ALDH1A1SMPD1OPRK1KMT2A
SCHEMBL16794826 0.80 L3MBTL1 (0.66) L3MBTL1ALDH1A1SMPD1CBX7CDYL2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0869949-A1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1998-10-14 EP disclosed
WO-1997017333-A1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-05-15 WO disclosed