SCHEMBL8967805

SCHEMBL8967805

CCC(CC)(C(C(=O)O)C(=O)O)P(=O)(O)O

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.34
PGK2 P07205 1/20 0.34
FDPS P14324 3/20 0.33
PGD P52209 1/20 0.32
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GCLC P48506 1/20 0.31

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
SCHEMBL1277676 0.78 GCLC (0.33) PGK1PGK2FDPSPGDGCLC
SCHEMBL10585782 0.77 PGK1 (0.34) PGK1PGK2FDPSPGDCHRM1
SCHEMBL6237312 0.74 GCLC (0.33) PGK1PGK2FDPSPGDGCLC
SCHEMBL18486667 0.71 HMGCR (0.32) FDPSCHRM1ADRA1A
SCHEMBL29108948 0.70 FDPS (0.34) FDPS
Phosphonic Acid SCHEMBL6831106 0.69
SCHEMBL3061235 0.67 HDAC1 (0.38) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL4602509 0.67 MEN1 (0.36) FDPS
SCHEMBL8668420 0.65 CHRM1 (0.36) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL3640221 0.65 CHRM1 (0.36) CHRM1AKR1A1CHRM3HTR2AHTR2C

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
US-5523430-A Protein farnesyl transferase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1996-06-04 US disclosed