SCHEMBL9219443

SCHEMBL9219443

C[C](C)C(=O)CC(C)(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
GAA P10253 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA2 P00918 3/20 0.44
CA1 P00915 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
GALR3 O60755 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 3/20 0.42
RECQL P46063 1/20 0.42
POLB P06746 1/20 0.42
TYR P14679 1/20 0.42
GLRA3 O75311 1/20 0.42
GLRB P48167 1/20 0.42
TSHR P16473 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
MAPT P10636 2/20 0.40

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
SCHEMBL7941371 0.82 GLRA3 (0.48) ALDH1A1GAATDP1CA2CA1
SCHEMBL11776262 0.76 GLRA3 (0.46) ALDH1A1GAATDP1CA2CA1
SCHEMBL8348961 0.76 CA2 (0.52) ALDH1A1GAACA2CA1SMN1; SMN2
SCHEMBL11793577 0.74 CA2 (0.54) ALDH1A1GAACA2CA1SMN1; SMN2
SCHEMBL30892095 0.72 LMNA (0.46) ALDH1A1GAATDP1CA2CA1
SCHEMBL19917541 0.72 GLRA3 (0.42) ALDH1A1GAATDP1CA2CA1
SCHEMBL3232508 0.72 CA2 (0.52) ALDH1A1GAATDP1CA2CA1
SCHEMBL10774229 0.71 GLRA3 (0.48) ALDH1A1GAATDP1CA2CA1
SCHEMBL28432052 0.71 GLRA3 (0.48) ALDH1A1GAATDP1CA2CA1
SCHEMBL6918240 0.71 GPR55 (0.37) ALDH1A1GAATDP1CA2CA1

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
EP-0638084-A1 SUBSTITUTED PHOSPHONATES, THE PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SYMPHAR S.A. (CH) 1995-02-15 EP claimed