SCHEMBL8553636

SCHEMBL8553636

OCCOCCCCCCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
USP2 O75604 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAPK1 P28482 1/20 0.51
CASP1 P29466 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
SLCO1B3 Q9NPD5 1/20 0.51
SLCO1B1 Q9Y6L6 1/20 0.51
MAPT P10636 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
SIGMAR1 Q99720 1/20 0.47
IDO1 P14902 1/20 0.47
FFAR1 O14842 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
FAAH O00519 2/20 0.46

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
SCHEMBL9407052 1.00 TDP1 (0.53) TDP1L3MBTL1MEN1KMT2AUSP2
SCHEMBL27873875 1.00 TDP1 (0.53) TDP1L3MBTL1MEN1KMT2AUSP2
SCHEMBL10035946 0.98 MEN1 (0.54) TDP1L3MBTL1MEN1KMT2AUSP2
SCHEMBL6001883 0.98 TDP1 (0.52) TDP1L3MBTL1MEN1KMT2AUSP2
SCHEMBL9574291 0.92 TDP1 (0.53) TDP1L3MBTL1MEN1KMT2AMAPT
SCHEMBL97369 0.92 TDP1 (0.53) TDP1L3MBTL1MEN1KMT2AMAPT
SCHEMBL96692 0.92 TDP1 (0.53) TDP1L3MBTL1MEN1KMT2AMAPT
SCHEMBL9574223 0.92 TDP1 (0.53) TDP1L3MBTL1MEN1KMT2AMAPT
SCHEMBL10390505 0.92 IDO1 (0.55) TDP1MEN1KMT2AUSP2ALDH1A1
SCHEMBL2010505 0.90 TDP1 (0.52) TDP1L3MBTL1MEN1KMT2ALMNA

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-0840725-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1998-05-13 EP disclosed
WO-1997002242-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-01-23 WO disclosed