SCHEMBL8522829

SCHEMBL8522829

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

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.43
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
CPA1 P15085 2/20 0.33
CPB1 P15086 1/20 0.33
CPA3 P15088 1/20 0.33
CPB2 Q96IY4 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.32

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
SCHEMBL22242591 0.77 FOLH1 (0.46) FOLH1TDP1SMN1; SMN2CPA1CPB1
SCHEMBL30018930 0.75 FOLH1 (0.65) FOLH1TDP1SMN1; SMN2CPA1CPB1
SCHEMBL1052505 0.74 TDP1 (0.48) FOLH1TDP1SMN1; SMN2CPA1CPB1
SCHEMBL4321051 0.74 TDP1 (0.48) FOLH1TDP1SMN1; SMN2CPA1CPB1
SCHEMBL164322 0.71 FOLH1 (0.75) FOLH1TDP1SMN1; SMN2CPA1CPB1
SCHEMBL21802279 0.71 FOLH1 (0.75) FOLH1TDP1SMN1; SMN2CPA1CPB1
SCHEMBL2177182 0.70 FOLH1 (0.41) FOLH1TDP1SMN1; SMN2CPA1CPB1
SCHEMBL742785 0.70 FOLH1 (0.54) FOLH1
SCHEMBL9668057 0.69 MMP2 (0.40) FOLH1TDP1SMN1; SMN2SLC22A6
SCHEMBL31040679 0.68 GPR84 (0.58)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0910362-A4 OXA ACIDS AND RELATED COMPOUNDS FOR TREATING SKIN CONDITIONS AVON PROD INC (US) 1999-12-22 EP disclosed
EP-0910362-A1 OXA ACIDS AND RELATED COMPOUNDS FOR TREATING SKIN CONDITIONS AVON PRODUCTS, INC. (US) 1999-04-28 EP disclosed