SCHEMBL4540053

SCHEMBL4540053

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.48
DNM1 Q05193 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 2/20 0.37
ADRA2A P08913 1/20 0.37
ADRA1A P35348 1/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BLM P54132 1/20 0.35
PAM P19021 2/20 0.35
KDM4E B2RXH2 1/20 0.35
DUSP3 P51452 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 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
SCHEMBL4540058 0.92 DGKA (0.42) DGKADNM1CYP3A4TSHRATM
SCHEMBL2881860 0.79 ALDH1A1 (0.44) DGKATSHRALDH1A1LMNAPAM
SCHEMBL1147321 0.77 DGKA (0.48) DGKADNM1CYP3A4TSHRATM
SCHEMBL249563 0.77 DGKA (0.54) DGKADNM1CYP3A4TSHRATM
SCHEMBL247200 0.76 DGKA (0.57) DGKADNM1CYP3A4TSHRATM
SCHEMBL494383 0.76 DGKA (0.57) DGKADNM1CYP3A4TSHRATM
SCHEMBL494198 0.76 DGKA (0.57) DGKADNM1CYP3A4TSHRATM
SCHEMBL494939 0.76 DGKA (0.57) DGKADNM1CYP3A4TSHRATM
SCHEMBL249240 0.76 DGKA (0.57) DGKADNM1CYP3A4TSHRATM
SCHEMBL494501 0.76 DGKA (0.57) DGKADNM1CYP3A4TSHRATM

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