SCHEMBL3360767

SCHEMBL3360767

CCC(=C(C(=O)O)C(=O)O)c1cc(OC)c(O)c(OC)c1CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.40
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
PKM P14618 2/20 0.37
CA12 O43570 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PTPN1 P18031 1/20 0.37
PTGS2 P35354 2/20 0.36
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
ALOX5 P09917 1/20 0.35

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
SCHEMBL9168647 0.80 PTPN1 (0.39) HMGCRCA1CA2TDP1PTPN1
SCHEMBL1260575 0.79 HMGCR (0.41) HMGCRCA1CA2PKMCA12
SCHEMBL9053891 0.78 TDP1 (0.42) PKMMAPTTDP1LMNASMN1; SMN2
SCHEMBL2214596 0.78 MAPT (0.36) HMGCRCA1CA12CA7CA9
SCHEMBL5746585 0.77 ALOX5 (0.52) PTGS2ALOX5
SCHEMBL2213832 0.76 PKM (0.38) HMGCRCA1CA2PKMCA12
SCHEMBL5749454 0.75 ALOX5 (0.42) CA1CA2PKMCA12CA3
SCHEMBL32666071 0.72 HSD17B2 (0.48) CA1CA2PKMCA12CA3
SCHEMBL11454709 0.70 KMT2A (0.37) MAPT
SCHEMBL4551834 0.70 PKM (0.54) HMGCRPKMMAPTTDP1PTGS2

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
EP-1406582-B1 PHOTOSTABLE ORGANIC SUNSCREEN COMPOUNDS WITH ANTIOXIDANT PROPERTIES AND COMPOSITIONS OBTAINED THEREFROM MERCK PATENT GMBH (DE) 2006-10-25 EP claimed
CN-105377225-A Uv compositions having low active concentrations and high in vivo spf PROCTER & GAMBLE 2016-03-02 CN disclosed
EP-2198837-B1 Cosmetic composition containing four surfactants, a cationic polymer and a zinc salt ORÉAL L (FR) 2016-02-17 EP disclosed
WO-2015140472-A1 COSMETIC COMPOSITION COMPRISING BENEFICIAL AGENTS FOR KERATIN MATERIALS, AND A MIXTURE OF SULFONATE-CONTAINING DERIVATIVES OF OLEFINS, AND COSMETIC TREATMENT METHOD L'OREAL (FR) 2015-09-24 WO disclosed
EP-2198837-A1 Cosmetic composition containing four surfactants, a cationic polymer and a zinc salt L'OREAL (FR) 2010-06-23 EP disclosed