SCHEMBL8615644

SCHEMBL8615644

CC(O)(CC(=O)[O-])C(=O)[O-].CC(O)(CC(=O)[O-])C(=O)[O-].C[SnH2+4]C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.46
FFAR3 O14843 2/20 0.35
HDAC3 O15379 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HMGCR P04035 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
TET2 Q6N021 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
SCHEMBL8504120 0.90 CA4 (0.56) CA4FFAR3HDAC3HDAC1HDAC2
Silver SCHEMBL6739147 0.90 CA4 (0.50) CA4FFAR3HDAC3HDAC1HDAC2
Lithium Ion SCHEMBL8506314 0.90 CA4 (0.50) CA4FFAR3HDAC3HDAC1HDAC2
SCHEMBL5081009 0.90 CA4 (0.50) CA4FFAR3HDAC3HDAC1HDAC2
Zinc Ion SCHEMBL16546436 0.90 CA4 (0.50) CA4FFAR3HDAC3HDAC1HDAC2
Potassium Ion SCHEMBL8502230 0.90 CA4 (0.50) CA4FFAR3HDAC3HDAC1HDAC2
SCHEMBL6739148 0.90 CA4 (0.50) CA4FFAR3HDAC3HDAC1HDAC2
Water SCHEMBL31011749 0.88 CA4 (0.48) CA4FFAR3HDAC3HDAC1HDAC2
SCHEMBL8615649 0.86 CA4 (0.46) CA4HMGCRCHRM1TBXA2RADRA1A
SCHEMBL8530594 0.78 CA1 (0.36) CA4FFAR3HDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0756614-B1 CURABLE RESIN COMPOSITION, COATING COMPOSITION, COATING METHOD AND COATED ARTICLE NIPPON PAINT CO LTD (JP) 1998-12-23 EP disclosed
US-5760137-A COMPRISING ADDITION POLYMER HAVING FREE AND ESTERIFIED CARBOXYL GROUPS, ADDITION POLYMER HAVING HYDROXYL AND EPOXY GROUPS, EPOXY AND/OR ALKOXY GROUP CONTAINING SILICONE POLYMER, POLYESTER NIPPON PAINT CO., LTD. (JP) 1998-06-02 US disclosed
WO-1995028452-A1 CURABLE RESIN COMPOSITION, COATING COMPOSITION, COATING METHOD AND COATED ARTICLE NIPPON PAINT CO., LTD. (JP) 1995-10-26 WO disclosed