SCHEMBL8553858

SCHEMBL8553858

O=C(CN1C(=O)CC1[S+]([O-])Cc1ccccc1)NCCOCCCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.41
EPHX2 P34913 2/20 0.40
LMNA P02545 4/20 0.39
GAA P10253 3/20 0.39
GFER P55789 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 3/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
CHRNA7 P36544 1/20 0.36
TSHR P16473 1/20 0.36
TRPV1 Q8NER1 1/20 0.36

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
SCHEMBL8772522 0.90 TRPV1 (0.46) EPHX2LMNAGAAGFERL3MBTL1
SCHEMBL27515045 0.89 TRPV1 (0.48) EPHX2LMNAGAAGFERL3MBTL1
SCHEMBL27493521 0.89 TRPV1 (0.48) EPHX2LMNAGAAGFERL3MBTL1
SCHEMBL27495125 0.89 TRPV1 (0.48) EPHX2LMNAGAAGFERL3MBTL1
SCHEMBL8442084 0.89 TRPV1 (0.48) EPHX2LMNAGAAGFERL3MBTL1
SCHEMBL8772503 0.89 TRPV1 (0.48) EPHX2LMNAGAAGFERL3MBTL1
SCHEMBL27515042 0.89 TRPV1 (0.48) EPHX2LMNAGAAGFERL3MBTL1
SCHEMBL8438732 0.89 TRPV1 (0.48) EPHX2LMNAGAAGFERL3MBTL1
SCHEMBL8553697 0.89 PKM (0.44) EPHX2LMNAGAAALDH1A1SMN1; SMN2
SCHEMBL8772515 0.85 TRPV1 (0.53) EPHX2LMNAGAAGFERTSHR

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 4 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 claimed
WO-1997002242-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-01-23 WO claimed
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