SCHEMBL4540058

SCHEMBL4540058

O=C(O)CCCCC(=O)OCCC(I)I

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.42
LMNA P02545 2/20 0.42
TSHR P16473 3/20 0.41
NFKB1 P19838 1/20 0.41
PMP22 Q01453 1/20 0.41
ALDH1A1 P00352 1/20 0.39
PAM P19021 2/20 0.39
NPC1 O15118 1/20 0.38
GSTK1 Q9Y2Q3 2/20 0.37
SLC22A6 Q4U2R8 1/20 0.37
ENPEP Q07075 1/20 0.36
DNM1 Q05193 1/20 0.36
CYP3A4 P08684 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GPR84 Q9NQS5 1/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
AKR1B1 P15121 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
SCHEMBL4540053 0.92 DGKA (0.48) DGKALMNATSHRALDH1A1PAM
SCHEMBL2881860 0.87 ALDH1A1 (0.44) DGKALMNATSHRNFKB1PMP22
SCHEMBL536437 0.81 DGKA (0.60) DGKALMNATSHRNFKB1PMP22
SCHEMBL4209313 0.81 DGKA (0.47) DGKALMNATSHRNFKB1PMP22
SCHEMBL530468 0.81 DGKA (0.47) DGKALMNATSHRNFKB1PMP22
SCHEMBL29263455 0.79 DGKA (0.50) DGKALMNATSHRNFKB1PMP22
SCHEMBL1258235 0.79 MAPT (0.47) DGKALMNATSHRNFKB1PMP22
SCHEMBL27842955 0.79 DGKA (0.50) DGKALMNATSHRNFKB1PMP22
SCHEMBL8652099 0.79 DGKA (0.50) DGKALMNATSHRNFKB1PMP22
SCHEMBL3194001 0.79 LMNA (0.55) DGKALMNATSHRNFKB1PMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079440-B1 TWO-COMPARTMENT SKINCARE PRODUCTS COMPRISING IVERMECTIN, AND USES THEREOF GALDERMA SA (CH) 2015-04-29 EP disclosed
US-8815938-B2 Double compartment skincare products comprising avermectin/milbemycin compounds GALDERMA S.A. (CH) 2014-08-26 US disclosed
US-20090286866-A1 Double compartment skincare products comprising avermectin/milbemycin compounds GALDERMA S.A. (CH) 2009-11-19 US disclosed