SCHEMBL11340658

SCHEMBL11340658

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

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.36
HSPD1 P10809 1/20 0.32
BLM P54132 1/20 0.32
HSPE1 P61604 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
GRM3 Q14832 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL11343035 0.86 FOLH1 (0.38) FOLH1HSPD1BLMHSPE1CA2
SCHEMBL22379 0.84 FOLH1 (0.37) FOLH1HSPD1BLMHSPE1CA2
SCHEMBL11341379 0.78 FOLH1 (0.38) FOLH1HSPD1BLMHSPE1CA2
SCHEMBL6237312 0.77 GCLC (0.33) GRM3
SCHEMBL2058534 0.74 FOLH1 (0.38) FOLH1HSPD1BLMHSPE1CA2
SCHEMBL149057 0.73 GCLC (0.33) CA2
SCHEMBL5364841 0.73 FOLH1 (0.41) FOLH1CA2CA4TDP1SMN1; SMN2
SCHEMBL7082097 0.72 FOLH1 (0.39) FOLH1HSPD1BLMHSPE1CA2
SCHEMBL2990247 0.72 MMP1 (0.34) CA2
SCHEMBL11331189 0.71 FDPS (0.39) FOLH1HSPD1BLMHSPE1CA2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4252857-A Flameproofing substrate BAYER AKTIENGESELLSCHAFT (DE) 1981-02-24 US disclosed
US-4133872-A Compositions for preparation of aqueous solutions of salts of lower valence 99 technetium HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 1979-01-09 US disclosed
US-4086334-A A CALCITONIN AND AN ADJUVANT CONTAINING CARBOXY AND/OR PHOSPHONO GROUPS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DT) 1978-04-25 US disclosed
US-3962433-A Method of treatment of calcium disorders using phosphonoalkane-polycarboxylic acids HENKEL & CIE G.M.B.H. (DT) 1976-06-08 US disclosed