SCHEMBL8815599

SCHEMBL8815599

O=C(O)NCC(=O)OCOC(=O)CCCCCBr

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
PAM P19021 2/20 0.37
DGKA P23743 1/20 0.36
RECQL P46063 1/20 0.36
ALDH1A1 P00352 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
TSHR P16473 2/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 1/20 0.33
FAAH O00519 1/20 0.33
CYP1A2 P05177 1/20 0.32
EPHX2 P34913 1/20 0.32

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
SCHEMBL8814360 0.79 PAM (0.42) PAMDGKAALDH1A1TSHRLMNA
SCHEMBL8814357 0.77 DGKA (0.43) PAMDGKAALDH1A1TDP1TSHR
SCHEMBL18009957 0.74 DGKA (0.48) PAMDGKAALDH1A1TDP1TSHR
SCHEMBL21811919 0.73 DGKA (0.41) PAMDGKAALDH1A1TDP1TSHR
SCHEMBL24597734 0.72 CYP1A2 (0.59) GAAPAMDGKAALDH1A1TDP1
SCHEMBL47126 0.72 CYP1A2 (0.59) GAAPAMDGKAALDH1A1TDP1
SCHEMBL1703446 0.72 CYP1A2 (0.59) GAAPAMDGKAALDH1A1TDP1
SCHEMBL1005765 0.72 CYP1A2 (0.59) GAAPAMDGKAALDH1A1TDP1
SCHEMBL3862786 0.72 CYP1A2 (0.59) GAAPAMDGKAALDH1A1TDP1
SCHEMBL318062 0.72 CYP1A2 (0.59) GAAPAMDGKAALDH1A1TDP1

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
US-5622944-A MODIFIED 17-HYDROXY STEROL; TRANSDERMAL ELECTROTRANSPORT ENHANCEMENT AFFYMAX TECHNOLOGIES N.V. (GB) 1997-04-22 US disclosed