SCHEMBL9225348

SCHEMBL9225348

COP(C)(=O)OCC(=O)CC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
RECQL P46063 1/20 0.43
ALOX5 P09917 2/20 0.41
PTGS1 P23219 2/20 0.41
PTGS2 P35354 2/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HMGCR P04035 3/20 0.38
GPR55 Q9Y2T6 1/20 0.38
NR1I2 O75469 1/20 0.38
CYP3A4 P08684 1/20 0.37
F2R P25116 2/20 0.37
MAOB P27338 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
GAA P10253 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TNFRSF1A P19438 1/20 0.36
VCAM1 P19320 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
SCHEMBL6916387 0.89 LMNA (0.47) LMNARECQLALOX5PTGS1PTGS2
SCHEMBL9224571 0.81 GAA (0.49) LMNAALOX5MEN1KMT2AHMGCR
SCHEMBL9224042 0.81 GABBR2 (0.47) LMNAALOX5PTGS1PTGS2MEN1
SCHEMBL6910755 0.80 GAA (0.49) LMNARECQLMEN1KMT2AHMGCR
SCHEMBL6915809 0.80 HMGCR (0.38) LMNARECQLMEN1KMT2AHMGCR
SCHEMBL6918005 0.79 VCAM1 (0.40) LMNARECQLPTGS1HMGCRGPR55
SCHEMBL6917719 0.75 GABBR2 (0.52) ALOX5PTGS1PTGS2HMGCRGPR55
SCHEMBL9222208 0.74 TNFRSF1A (0.47) LMNARECQLALOX5PTGS1PTGS2
SCHEMBL724655 0.74 PTGS1 (0.51) LMNARECQLALOX5PTGS1PTGS2
SCHEMBL9225329 0.74 LMNA (0.50) LMNARECQLALOX5PTGS1PTGS2

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-0638084-A1 SUBSTITUTED PHOSPHONATES, THE PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SYMPHAR S.A. (CH) 1995-02-15 EP claimed
WO-1994019358-A1 SUBSTITUTED PHOSPHONATES, THE PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SYMPHAR S.A. (CH) 1994-09-01 WO claimed