SCHEMBL11344898

SCHEMBL11344898

CCCC(C(=O)O)C(CCC(=O)O)(C(=O)O)P(=O)(O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM3 Q14832 2/20 0.38
FFAR3 O14843 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
FOLH1 Q04609 5/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
THRB P10828 1/20 0.35
KMT2A Q03164 1/20 0.35
GRM8 O00222 1/20 0.35
GRM6 O15303 1/20 0.35
GRM7 Q14831 1/20 0.35
GRM4 Q14833 1/20 0.35
GGH Q92820 1/20 0.35
HSPD1 P10809 1/20 0.35
BLM P54132 1/20 0.35
HSPE1 P61604 1/20 0.35

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
SCHEMBL27837595 0.91 HSPD1 (0.42) GRM3FFAR3HDAC3HDAC1HDAC2
SCHEMBL11339923 0.89 FDPS (0.38) HDAC1HDAC2MEN1KMT2AHSPD1
SCHEMBL8843030 0.81 CHRM1 (0.35) HDAC1HDAC2MEN1KMT2AHSPD1
SCHEMBL11331405 0.78 GRM3 (0.43) GRM3FOLH1MEN1ALDH1A1CYP1A2
SCHEMBL9466747 0.78 FDPS (0.36) GRM3FOLH1GRM8GRM6GRM7
SCHEMBL11343035 0.78 FOLH1 (0.38) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL9282007 0.77 GRM3 (0.33) GRM3FOLH1GRM8GRM6GRM7
SCHEMBL11328571 0.77 GCLC (0.41) GRM3HDAC1HDAC2FOLH1MEN1
SCHEMBL11339295 0.76 FDPS (0.34) HDAC1HDAC2MEN1KMT2AHSPD1
SCHEMBL25394728 0.73 FOLH1 (0.40) GRM3FOLH1GRM8GRM6GRM7

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