SCHEMBL6916387

SCHEMBL6916387

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
RECQL P46063 1/20 0.47
ALOX5 P09917 2/20 0.45
PTGS1 P23219 2/20 0.45
PTGS2 P35354 2/20 0.45
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
HMGCR P04035 3/20 0.41
GPR55 Q9Y2T6 1/20 0.41
NR1I2 O75469 1/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
TNFRSF1A P19438 1/20 0.39
F2R P25116 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 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
SCHEMBL9225348 0.89 LMNA (0.43) LMNARECQLALOX5PTGS1PTGS2
SCHEMBL6917719 0.80 GABBR2 (0.52) ALOX5PTGS1PTGS2HMGCRGPR55
SCHEMBL6915809 0.79 HMGCR (0.38) LMNARECQLKMT2AMEN1HMGCR
SCHEMBL6910755 0.79 GAA (0.49) LMNARECQLKMT2AMEN1HMGCR
SCHEMBL9222208 0.79 TNFRSF1A (0.47) LMNARECQLALOX5PTGS1PTGS2
SCHEMBL6914237 0.78 HMGCR (0.48) LMNARECQLALOX5PTGS1PTGS2
SCHEMBL9513470 0.78 HMGCR (0.50) LMNARECQLKMT2AMEN1HMGCR
SCHEMBL9225329 0.78 LMNA (0.50) LMNARECQLALOX5PTGS1PTGS2
SCHEMBL6918409 0.78 VCAM1 (0.45) LMNARECQLHMGCRGPR55NR1I2
SCHEMBL6918005 0.78 VCAM1 (0.40) LMNARECQLPTGS1HMGCRGPR55

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004026245-A2 SUBSTITUTED PHOSPHONATE COMPOUNDS HAVING BONE ANABOLIC ACTIVITY ILEX ONCOLOGY RESEARCH, SARL (CH) 2004-04-01 WO claimed