SCHEMBL9161027

SCHEMBL9161027

C=CCc1c(CC(CC)CCCC)c(C(CC(CC)CCCC)=C(C(=O)O)C(=O)O)cc(OC)c1OC

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 2/20 0.34
CA2 P00918 1/20 0.32
CYP3A4 P08684 1/20 0.32
TRPM8 Q7Z2W7 4/20 0.32
TSHR P16473 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPK1 P28482 1/20 0.32
LTA4H P09960 1/20 0.32
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PTPN1 P18031 1/20 0.31
CCR3 P51677 1/20 0.31
PPARA Q07869 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 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
SCHEMBL5449778 0.84 ALOX5 (0.35) ALDH1A1CA2CYP3A4TSHRTDP1
SCHEMBL9168647 0.77 PTPN1 (0.39) ALDH1A1KDM4ECA2CYP3A4TDP1
SCHEMBL5748837 0.76 ALDH1A1 (0.34) ALDH1A1CA2CYP3A4TSHRTDP1
SCHEMBL9172784 0.75 PPARA (0.36) ALDH1A1KDM4ETDP1PPARA
SCHEMBL63069 0.71 TAS1R3 (0.42) ALDH1A1CA2CYP3A4TSHRTDP1
SCHEMBL3176164 0.70 TDP1 (0.48) ALDH1A1CA2CYP3A4TSHRTDP1
SCHEMBL11524043 0.69 LMNA (0.39) ALDH1A1KDM4ECA2CYP3A4TSHR
SCHEMBL5751345 0.68 PKM (0.40) ALDH1A1KDM4ECA2TSHRTDP1
SCHEMBL20548410 0.68 ALDH1A1 (0.48) ALDH1A1KDM4ECA2CYP3A4TSHR
SCHEMBL5748233 0.67 ALOX5 (0.34) ALDH1A1CA2CYP3A4TSHRTDP1

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-0350386-B1 UNSATURATED DERIVATIVES OF LIPID SOLUBLE BENZAL MALONATES, AND THEIR USE AS UV ABSORBERS IN THE COSMETIC FIELD L'OREAL (FR) 1992-04-08 EP claimed
US-5415854-A Sunscreen agents L'OREAL (FR) 1995-05-16 US disclosed