SCHEMBL2785907

SCHEMBL2785907

Cc1cc(O)c(C(=O)CC(C)CCCCCCCCCCCCO)cc1O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
ALOX15 P16050 2/20 0.34
HSD17B10 Q99714 2/20 0.34
TSHR P16473 1/20 0.34
RECQL P46063 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TRPV1 Q8NER1 2/20 0.32
FFAR1 O14842 1/20 0.30
SHBG P04278 1/20 0.30
KDM4E B2RXH2 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
G6PD P11413 1/20 0.30
CYP2C9 P11712 1/20 0.30
PKM P14618 1/20 0.30
ALOX12 P18054 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL2783189 0.81 CA12 (0.43)
SCHEMBL2802519 0.79 ALDH1A1 (0.47) ALDH1A1HPGDALOX15HSD17B10TSHR
SCHEMBL8984477 0.66 GPR84 (0.44) FFAR1
SCHEMBL8984397 0.66 GPR84 (0.44) FFAR1
SCHEMBL8984580 0.66 GPR84 (0.44) FFAR1
SCHEMBL8984636 0.66 GPR84 (0.44) FFAR1
SCHEMBL27718800 0.65 ALDH1A1 (0.47) ALDH1A1HPGDALOX15HSD17B10TSHR
SCHEMBL8569864 0.64 BHMT (0.43) FFAR1
SCHEMBL29627058 0.63 FAAH (0.45) ALDH1A1ALOX15HSD17B10TSHRTDP1
SCHEMBL14925349 0.63 TSHR (0.55) ALDH1A1HPGDALOX15HSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010128038-A1 HYDROQUINONE DERIVATIVES AXOGLIA THERAPEUTICS S.A. (LU) 2010-11-11 WO disclosed