SCHEMBL8301476

SCHEMBL8301476

OCCOCCCCCCc1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
USP2 O75604 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
CYP3A4 P08684 1/20 0.53
MAPK1 P28482 1/20 0.53
CASP1 P29466 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
SLCO1B3 Q9NPD5 1/20 0.53
SLCO1B1 Q9Y6L6 1/20 0.53
KCNH3 Q9ULD8 2/20 0.42
GAA P10253 1/20 0.41
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39

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
SCHEMBL11669981 0.91 TAAR1 (0.46) MEN1KMT2AUSP2ALDH1A1LMNA
SCHEMBL8722410 0.91 TAAR1 (0.46) MEN1KMT2AUSP2ALDH1A1LMNA
SCHEMBL7438849 0.85 TAAR1 (0.42) MEN1KMT2AUSP2ALDH1A1LMNA
SCHEMBL321367 0.85 TAAR1 (0.45) MEN1KMT2AUSP2ALDH1A1LMNA
SCHEMBL29076614 0.82 TAAR1 (0.50) MEN1KMT2ATAAR1
SCHEMBL23015073 0.82 ALDH1A1 (0.45) MEN1KMT2AUSP2ALDH1A1LMNA
SCHEMBL8306211 0.82 MEN1 (0.53) MEN1KMT2AUSP2ALDH1A1LMNA
SCHEMBL27873875 0.81 TDP1 (0.53) MEN1KMT2AUSP2ALDH1A1LMNA
SCHEMBL9407052 0.81 TDP1 (0.53) MEN1KMT2AUSP2ALDH1A1LMNA
SCHEMBL8553636 0.81 TDP1 (0.53) MEN1KMT2AUSP2ALDH1A1LMNA

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-0915843-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSES SMITHKLINE BEECHAM PLC (GB) 1999-05-19 EP disclosed
WO-1997041098-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-11-06 WO disclosed