SCHEMBL9723334

SCHEMBL9723334

CCOP(=O)(OCC)C(CCCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)P(=O)(OCC)OCC

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 5/20 0.71
NR1I2 O75469 1/20 0.47
GAA P10253 6/20 0.42
KMT2A Q03164 5/20 0.41
LMNA P02545 3/20 0.40
RECQL P46063 1/20 0.40
MEN1 O00255 4/20 0.40
ALDH1A1 P00352 3/20 0.38
TSHR P16473 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
MAPK1 P28482 2/20 0.38
BLM P54132 2/20 0.38
ATM Q13315 2/20 0.38
HIF1A Q16665 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
USP2 O75604 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
GMNN O75496 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
SCHEMBL1704691 0.83 HMGCR (1.00) HMGCRNR1I2GAAKMT2ALMNA
SCHEMBL9637942 0.81 HMGCR (0.60) HMGCRNR1I2LMNARECQLMAPT
SCHEMBL9723401 0.80 HMGCR (0.81) HMGCRNR1I2GAAKMT2ALMNA
SCHEMBL9723321 0.79 HMGCR (0.57) HMGCRNR1I2LMNARECQLMAPT
SCHEMBL7086384 0.76 HMGCR (0.85) HMGCRNR1I2GAAKMT2AMEN1
SCHEMBL27570668 0.76 HMGCR (0.59) HMGCRNR1I2GAAKMT2ALMNA
SCHEMBL12242288 0.75 GAA (0.48) HMGCRGAAKMT2ALMNAMEN1
SCHEMBL27909258 0.74 HMGCR (0.60) HMGCRNR1I2GAAKMT2ALMNA
SCHEMBL7086459 0.74 HMGCR (0.57) HMGCRNR1I2GAAKMT2ALMNA
SCHEMBL7134552 0.74 HMGCR (0.76) HMGCRNR1I2GAAKMT2ALMNA

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
US-5128331-A Gen-diphosphonates SYMPHAR S.A. (CH) 1992-07-07 US disclosed
US-5043330-A Antiinflammatory and hypotensive agents; antihyperlipemia SYMPHAR S.A. (CH) 1991-08-27 US disclosed