SCHEMBL7129848

SCHEMBL7129848

CCC(C)C(=O)OCCCCC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
PAOX Q6QHF9 1/20 0.38
TSHR P16473 2/20 0.35
NAAA Q02083 1/20 0.34
DGKA P23743 1/20 0.34
ACHE P22303 1/20 0.33
CES2 O00748 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL13863454 0.86 FAAH (0.40) TSHR
SCHEMBL12932716 0.85 ALDH1A1 (0.48) ALDH1A1TSHR
SCHEMBL10049497 0.83 ALDH1A1 (0.52) ALDH1A1TSHR
SCHEMBL19680351 0.83 ALDH1A1 (0.52) ALDH1A1TSHR
SCHEMBL805653 0.82 NAAA (0.52) ALDH1A1TSHRNAAA
SCHEMBL2418446 0.82 NAAA (0.52) ALDH1A1TSHRNAAA
SCHEMBL11849752 0.82 PAOX (0.41) ALDH1A1PAOXTSHRNAAADGKA
SCHEMBL18822585 0.81 PAOX (0.42) ALDH1A1PAOXTSHRNAAADGKA
SCHEMBL1626354 0.80 NAAA (0.55) ALDH1A1TSHRNAAADGKAACHE
SCHEMBL14341535 0.80 NAAA (0.55) ALDH1A1TSHRNAAADGKAACHE

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
US-6514485-B1 Combinations of sunscreens 3V SIGMA S.P.A. (IT) 2003-02-04 US disclosed
WO-1999006014-A2 COMBINATIONS OF SUNSCREENS AND COMPOSITIONS CONTAINING THEM 3V SIGMA S.P.A. (IT) 1999-02-11 WO disclosed