SCHEMBL6918240

SCHEMBL6918240

CC(C)(C)c1cc(C(C)(C)CC(=O)CO[PH](=O)O)cc(C(C)(C)C)c1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR55 Q9Y2T6 1/20 0.37
LMNA P02545 2/20 0.36
RECQL P46063 1/20 0.36
CA2 P00918 3/20 0.36
CA1 P00915 2/20 0.36
ALDH1A1 P00352 4/20 0.36
GAA P10253 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
TYR P14679 1/20 0.35
GLRA3 O75311 1/20 0.35
GLRB P48167 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
VCAM1 P19320 4/20 0.34
MEN1 O00255 2/20 0.34
TSHR P16473 2/20 0.34
KMT2A Q03164 2/20 0.34
USP2 O75604 1/20 0.34
CYP1A2 P05177 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
SCHEMBL6909428 0.78 GAA (0.52) GPR55LMNAALDH1A1GAASMN1; SMN2
SCHEMBL6909365 0.77 HPN (0.41) GPR55LMNARECQLCA2CA1
SCHEMBL10823218 0.77 CYP2C19 (0.42) ALDH1A1GAAPOLBKMT2AMAPT
SCHEMBL9394063 0.77 ALOX5 (0.48) GPR55LMNARECQLCA2CA1
SCHEMBL9389244 0.75 GAA (0.52) LMNAALDH1A1GAASMN1; SMN2NPSR1
SCHEMBL6915809 0.75 HMGCR (0.38) GPR55LMNARECQLCA2CA1
SCHEMBL9390321 0.74 VCAM1 (0.40) GPR55ALDH1A1GAATDP1NPSR1
SCHEMBL7941371 0.74 GLRA3 (0.48) GPR55LMNARECQLCA2CA1
SCHEMBL6916388 0.73 HMGCR (0.44) GPR55LMNARECQLCA2CA1
SCHEMBL9390779 0.73 VCAM1 (0.44) GPR55LMNARECQLCA2CA1

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 disclosed