SCHEMBL4668472

SCHEMBL4668472

CCCC(Cc1ccccc1C(=O)O)CC(C)CC

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.44
ALDH1A1 P00352 5/20 0.39
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
TSHR P16473 3/20 0.38
CLCN2 P51788 1/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RECQL P46063 1/20 0.37
HSD17B10 Q99714 1/20 0.36
CA2 P00918 1/20 0.36
GAA P10253 1/20 0.36
CYP3A4 P08684 1/20 0.36
PTPN11 Q06124 1/20 0.35
ALOX15 P16050 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
SCHEMBL4668476 0.83 FOLH1 (0.46) FOLH1ALDH1A1LTB4RLTB4R2TSHR
SCHEMBL29644540 0.82 FOLH1 (0.50) FOLH1ALDH1A1TSHRCLCN2POLB
SCHEMBL2578003 0.82 FOLH1 (0.50) FOLH1ALDH1A1TSHRCLCN2POLB
SCHEMBL9724910 0.82 FOLH1 (0.49) FOLH1ALDH1A1TSHRCLCN2POLB
SCHEMBL9724906 0.82 FOLH1 (0.49) FOLH1ALDH1A1TSHRCLCN2POLB
SCHEMBL27772890 0.80 FOLH1 (0.50) FOLH1ALDH1A1TSHRCLCN2POLB
SCHEMBL16167161 0.80 FOLH1 (0.50) FOLH1ALDH1A1TSHRKDM4EMEN1
SCHEMBL31073993 0.78 ALDH1A1 (0.55) FOLH1ALDH1A1TSHRCLCN2KDM4E
SCHEMBL131266 0.78 ALDH1A1 (0.55) FOLH1ALDH1A1TSHRCLCN2KDM4E
SCHEMBL11081855 0.77 ALDH1A1 (0.58) ALDH1A1TSHRKDM4ECA2CYP3A4

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