SCHEMBL21247079

SCHEMBL21247079

CCC(=O)C(=O)C1C(C)=CCCC1(C)C

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
CYP3A4 P08684 1/20 0.51
ALOX15 P16050 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
KDM4E B2RXH2 1/20 0.32
GAA P10253 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
SCHEMBL11230598 0.88 ALDH1A1 (0.46) ALDH1A1CYP3A4ALOX15TDP1KDM4E
SCHEMBL17129799 0.83 ALDH1A1 (0.54) ALDH1A1CYP3A4ALOX15TDP1KDM4E
SCHEMBL11448235 0.79 ALDH1A1 (0.46) ALDH1A1CYP3A4ALOX15TDP1KDM4E
SCHEMBL11448236 0.79 ALDH1A1 (0.46) ALDH1A1CYP3A4ALOX15TDP1KDM4E
SCHEMBL1784164 0.78 ALDH1A1 (0.46) ALDH1A1CYP3A4ALOX15TDP1KDM4E
SCHEMBL10648071 0.77 ALDH1A1 (0.48) ALDH1A1CYP3A4ALOX15TDP1KDM4E
SCHEMBL11803049 0.77 ALDH1A1 (0.41) ALDH1A1CYP3A4ALOX15TDP1KDM4E
SCHEMBL9410694 0.76 ALDH1A1 (0.45) ALDH1A1CYP3A4ALOX15TDP1KDM4E
SCHEMBL9410641 0.76 ALDH1A1 (0.45) ALDH1A1CYP3A4ALOX15TDP1KDM4E
SCHEMBL2857543 0.76 ALDH1A1 (0.60) ALDH1A1CYP3A4ALOX15TDP1KDM4E

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-3749281-A1 PERFUME COMPLEX AND SCENTED WATER COMPOSITION Expressions Parfumees (FR) 2020-12-16 EP disclosed
WO-2019154892-A1 PERFUME COMPLEX AND SCENTED WATER COMPOSITION EXPRESSIONS PARFUMÉES (FR) 2019-08-15 WO disclosed