SCHEMBL5077672

SCHEMBL5077672

CC(=O)OC1CCC(C)(C)C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)=C1C

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.74
MAPT P10636 7/20 0.74
SMN1; SMN2 Q16637 2/20 0.74
RARA P10276 6/20 0.61
CYP26A1 O43174 4/20 0.61
RXRA P19793 5/20 0.60
CYP3A4 P08684 5/20 0.60
RARB P10826 4/20 0.60
RARG P13631 4/20 0.60
PTGS1 P23219 4/20 0.60
HIF1A Q16665 3/20 0.60
LMNA P02545 3/20 0.60
RXRB P28702 2/20 0.60
RXRG P48443 2/20 0.60
RORC P51449 2/20 0.60
ADORA3 P0DMS8 2/20 0.60
MAPK1 P28482 2/20 0.60
HTR2B P41595 2/20 0.60
BLM P54132 2/20 0.60
GMNN O75496 2/20 0.60

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
SCHEMBL4389193 1.00 ALDH1A1 (0.74) ALDH1A1MAPTSMN1; SMN2RARACYP26A1
SCHEMBL13589857 0.87 MAPT (0.56) ALDH1A1MAPTSMN1; SMN2RARACYP26A1
SCHEMBL30234039 0.85 MAPT (0.69) ALDH1A1MAPTSMN1; SMN2RARACYP26A1
SCHEMBL1718341 0.85 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2RARACYP26A1
SCHEMBL7127846 0.85 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2RARACYP26A1
SCHEMBL23356521 0.85 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2RARACYP26A1
SCHEMBL3500196 0.85 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2RARACYP26A1
SCHEMBL1718339 0.85 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2RARACYP26A1
SCHEMBL21140941 0.84 ALDH1A1 (0.80) ALDH1A1MAPTSMN1; SMN2RARACYP26A1
SCHEMBL1718771 0.83 ALDH1A1 (0.65) ALDH1A1MAPTSMN1; SMN2RARACYP26A1

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-1973610-A1 USE OF POLYUNSATURATED COMPOUNDS AS WHITENING AGENTS Pierre Fabre Dermo-Cosmetique (FR) 2008-10-01 EP disclosed
WO-2007068743-A1 USE OF POLYUNSATURATED COMPOUNDS AS WHITENING AGENTS PIERRE FABRE DERMO-COSMETIQUE (FR) 2007-06-21 WO disclosed