SCHEMBL7763405

SCHEMBL7763405

OC/C=C\C(O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.46
IDO1 P14902 1/20 0.41
SLC1A3 P43003 2/20 0.40
SLC1A2 P43004 2/20 0.40
SLC1A1 P43005 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
MEN1 O00255 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
KMT2A Q03164 1/20 0.40
HTT P42858 1/20 0.40
AGXT P21549 1/20 0.39
TSHR P16473 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37

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
SCHEMBL7763413 1.00 RCE1 (0.46) RCE1IDO1SLC1A3SLC1A2SLC1A1
SCHEMBL7288005 0.80 RCE1 (0.47) RCE1IDO1SLC1A3SLC1A2SLC1A1
SCHEMBL7287994 0.80 RCE1 (0.47) RCE1IDO1SLC1A3SLC1A2SLC1A1
SCHEMBL17679381 0.77 RCE1 (0.39) RCE1IDO1SLC1A3SLC1A2SLC1A1
SCHEMBL11619375 0.76 SLC1A3 (0.43) RCE1IDO1SLC1A3SLC1A2SLC1A1
SCHEMBL7501665 0.76 SLC1A3 (0.51) RCE1IDO1SLC1A3SLC1A2SLC1A1
SCHEMBL9141007 0.75 RCE1 (0.49) RCE1IDO1SLC1A3SLC1A2SLC1A1
SCHEMBL9141279 0.75 RCE1 (0.49) RCE1IDO1SLC1A3SLC1A2SLC1A1
SCHEMBL2453354 0.74 LMNA (0.37) CYP2D6TSHRALDH1A1LMNA
SCHEMBL8766555 0.72 TSHR (0.68) IDO1CYP1A2CYP2C19HTTAGXT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0821665-B1 CYCLOBUTANE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHASE AND PROTEIN FARNESYLTRANSFERASE ABBOTT LAB (US) 2001-10-04 EP disclosed
EP-1090908-A2 Cyclobutane derivatives as inhibitors of protein farnesyltransferase ABBOTT LABORATORIES (US) 2001-04-11 EP disclosed
US-5831115-A CYCLOBUTANECARBOXAMIDES ABBOTT LABORATORIES (US) 1998-11-03 US disclosed