SCHEMBL6918005

SCHEMBL6918005

COP(C)(=O)OCC(=O)CSc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 11/20 0.40
HPN P05981 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
SIRT5 Q9NXA8 1/20 0.39
HMGCR P04035 3/20 0.37
GPR55 Q9Y2T6 1/20 0.37
NR1I2 O75469 1/20 0.37
LMNA P02545 1/20 0.36
RECQL P46063 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
PTGS1 P23219 1/20 0.34

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
SCHEMBL6919061 0.81 HMGCR (0.43) VCAM1HPNMAPTALOX15SIRT5
SCHEMBL6918409 0.80 VCAM1 (0.45) VCAM1HPNMAPTALOX15SIRT5
SCHEMBL27429592 0.80 VCAM1 (0.41) VCAM1HPNMAPTALOX15SIRT5
SCHEMBL6915809 0.79 HMGCR (0.38) VCAM1HMGCRGPR55NR1I2LMNA
SCHEMBL6910755 0.79 GAA (0.49) MAPTHMGCRGPR55NR1I2LMNA
SCHEMBL9225348 0.79 LMNA (0.43) VCAM1HMGCRGPR55NR1I2LMNA
SCHEMBL6916387 0.78 LMNA (0.47) MAPTHMGCRGPR55NR1I2LMNA
SCHEMBL9394048 0.77 VCAM1 (0.40) VCAM1HPNMAPTALOX15SIRT5
SCHEMBL6909367 0.76 HPN (0.42) VCAM1HPNMAPTALOX15SIRT5
SCHEMBL9224571 0.76 GAA (0.49) VCAM1HMGCRLMNA

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
WO-2004026245-A2 SUBSTITUTED PHOSPHONATE COMPOUNDS HAVING BONE ANABOLIC ACTIVITY ILEX ONCOLOGY RESEARCH, SARL (CH) 2004-04-01 WO claimed
EP-0638084-A1 SUBSTITUTED PHOSPHONATES, THE PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SYMPHAR S.A. (CH) 1995-02-15 EP claimed