SCHEMBL9166233

SCHEMBL9166233

C=CCc1cc(C=C(C(=O)OCC)C(=O)OCC)cc(OC)c1OCCCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.45
LMNA P02545 7/20 0.45
ALDH1A1 P00352 6/20 0.45
KDM4E B2RXH2 4/20 0.45
CYP2C19 P33261 3/20 0.45
CYP3A4 P08684 2/20 0.45
HPGD P15428 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
POLB P06746 4/20 0.44
PLIN1 O60240 1/20 0.44
PLIN5 Q00G26 1/20 0.44
ABHD5 Q8WTS1 1/20 0.44
L3MBTL1 Q9Y468 4/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
PTPN1 P18031 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41

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
SCHEMBL9168342 0.89 MAPT (0.50) MAPTLMNAALDH1A1KDM4ECYP2C19
SCHEMBL9624029 0.88 ALDH1A1 (0.49) MAPTALDH1A1KDM4ECYP2C19CYP3A4
SCHEMBL9165998 0.80 ALDH1A1 (0.61) MAPTLMNAALDH1A1KDM4ECYP2C19
SCHEMBL9161049 0.79 MAPT (0.53) MAPTLMNAALDH1A1KDM4ECYP2C19
SCHEMBL9161015 0.79 TSHR (0.43) MAPTLMNAALDH1A1KDM4ECYP2C19
SCHEMBL2213718 0.78 MEN1 (0.57) MAPTLMNAALDH1A1KDM4ECYP2C19
SCHEMBL6229506 0.77 MAPT (0.56) MAPTLMNAALDH1A1KDM4ECYP2C19
SCHEMBL8330027 0.77 MAPT (0.62) MAPTLMNAALDH1A1KDM4ECYP2C19
SCHEMBL9623907 0.75 MAPT (0.51) MAPTLMNAALDH1A1CYP2C19MEN1
SCHEMBL23407458 0.74 ALOX5 (0.52) MAPTLMNAALDH1A1KDM4ECYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5175340-A Sunscreen agents, stabilizers L'OREAL (FR) 1992-12-29 US claimed
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
US-5175340-A Sunscreen agents, stabilizers L'OREAL (FR) 1992-12-29 US disclosed
US-5053290-A DIORGANOPOLYSILOXANES COMPRISING BENZALMALONATE FUNCTIONAL GROUPS RHONE-POULENC CHIMIE (FR) 1991-10-01 US disclosed