SCHEMBL4668476

SCHEMBL4668476

CCCC(CCC(C)C)Cc1ccccc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.46
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
CLCN2 P51788 1/20 0.39
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
TSHR P16473 2/20 0.39
MEN1 O00255 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
ALOX15 P16050 1/20 0.37
KCNA5 P22460 1/20 0.36
POLB P06746 3/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
CYP2C9 P11712 1/20 0.36
HIF1A Q16665 1/20 0.36
MAPT P10636 1/20 0.36
HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL16167161 0.85 FOLH1 (0.50) FOLH1ALDH1A1KDM4ETSHRMEN1
SCHEMBL4668472 0.83 FOLH1 (0.44) FOLH1ALDH1A1KDM4EHSD17B10CLCN2
SCHEMBL29644540 0.81 FOLH1 (0.50) FOLH1ALDH1A1KDM4ETDP1CLCN2
SCHEMBL2578003 0.81 FOLH1 (0.50) FOLH1ALDH1A1KDM4ETDP1CLCN2
SCHEMBL6259652 0.81 ALDH1A1 (0.55) FOLH1ALDH1A1KDM4ETSHRMEN1
SCHEMBL8680643 0.81 ALDH1A1 (0.55) FOLH1ALDH1A1KDM4ETSHRMEN1
SCHEMBL6263207 0.79 ALDH1A1 (0.53) FOLH1ALDH1A1KDM4ETSHRMEN1
SCHEMBL27772890 0.79 FOLH1 (0.50) FOLH1ALDH1A1KDM4ETDP1CLCN2
SCHEMBL157592 0.79 FOLH1 (0.53) FOLH1ALDH1A1KDM4ECLCN2TSHR
SCHEMBL3797099 0.78 FOLH1 (0.47) FOLH1ALDH1A1KDM4ETDP1CLCN2

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
EP-1985279-A1 Cosmetic compositions containing esters based on 2-propyl heptanol Cognis IP Management GmbH (DE) 2008-10-29 EP disclosed