SCHEMBL8301480

SCHEMBL8301480

CC(O)OCCCCCCc1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
S1PR2 O95136 1/20 0.40
S1PR4 O95977 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
S1PR5 Q9H228 1/20 0.40
TRPA1 O75762 1/20 0.39
DPP4 P27487 1/20 0.38
TAAR1 Q96RJ0 2/20 0.38

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
SCHEMBL8306214 0.83 IGF1R (0.45) S1PR2S1PR4S1PR1S1PR3S1PR5
SCHEMBL11959855 0.77 TAAR1 (0.44) TAAR1
SCHEMBL27510060 0.77 TAAR1 (0.43) TAAR1
SCHEMBL11669981 0.76 TAAR1 (0.46) LMNAKMT2ATAAR1
SCHEMBL8722410 0.76 TAAR1 (0.46) LMNAKMT2ATAAR1
SCHEMBL10571903 0.75 TAAR1 (0.59) TAAR1
SCHEMBL9760951 0.75 IDO1 (0.52) LMNAKMT2A
SCHEMBL11959866 0.74 TAAR1 (0.45) TAAR1
SCHEMBL23014787 0.74 RAB9A (0.51) LMNATAAR1
SCHEMBL10574057 0.73 TAAR1 (0.62) TAAR1

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