SCHEMBL540756

SCHEMBL540756

COC1(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c2CC1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.47
HSD17B10 Q99714 3/20 0.45
ALOX15 P16050 2/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX12 P18054 1/20 0.45
CYP2C19 P33261 1/20 0.45
BACE1 P56817 4/20 0.43
KDM4E B2RXH2 4/20 0.43
GAA P10253 3/20 0.43
PTGS1 P23219 3/20 0.43
MEN1 O00255 2/20 0.43
PKM P14618 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
APEX1 P27695 2/20 0.43
RECQL P46063 2/20 0.43
ALPL P05186 2/20 0.43
POLB P06746 2/20 0.43
APP P05067 1/20 0.43

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
SCHEMBL2355459 0.84 HSD17B10 (0.42) PTGS2HSD17B10ALOX15CYP2C9ALOX12
SCHEMBL14392073 0.81 BACE1 (0.46) PTGS2HSD17B10ALOX15CYP2C9ALOX12
SCHEMBL6262620 0.81 BACE1 (0.46) PTGS2HSD17B10ALOX15CYP2C9ALOX12
SCHEMBL4728425 0.81 BACE1 (0.46) PTGS2HSD17B10ALOX15CYP2C9ALOX12
SCHEMBL809418 0.81 BACE1 (0.43) PTGS2HSD17B10ALOX15CYP2C9ALOX12
SCHEMBL6213448 0.79 BACE1 (0.44) PTGS2HSD17B10ALOX15CYP2C9ALOX12
SCHEMBL6262786 0.79 BACE1 (0.46) PTGS2HSD17B10ALOX15CYP2C9ALOX12
SCHEMBL20169853 0.79 BACE1 (0.46) PTGS2HSD17B10ALOX15CYP2C9ALOX12
SCHEMBL6262789 0.79 BACE1 (0.46) PTGS2HSD17B10ALOX15CYP2C9ALOX12
SCHEMBL9413371 0.77 BACE1 (0.40) PTGS2HSD17B10ALOX15CYP2C9ALOX12

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-1647262-B2 Anhydrous cosmetic composition comprising electrophilic monomers and acid, and use for cosmetic treatment of hair OREAL (FR) 2012-02-08 EP claimed
EP-1647262-B1 Anhydrous cosmetic composition comprising electrophilic monomers and acid, and use for cosmetic treatment of hair OREAL (FR) 2009-08-05 EP claimed