SCHEMBL11570915

SCHEMBL11570915

CC(CCCCCCCc1ccc(I)cc1)OC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.44
ALB P02768 3/20 0.42
ALDH1A1 P00352 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
S1PR2 O95136 2/20 0.40
S1PR1 P21453 2/20 0.40
S1PR3 Q99500 1/20 0.39
PLA2G1B P04054 5/20 0.38
ATG4B Q9Y4P1 5/20 0.38
LTB4R Q15722 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
CYP1A2 P05177 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL1836532 0.86 NAAA (0.55) NAAAALDH1A1S1PR2S1PR1S1PR3
SCHEMBL1837064 0.86 NAAA (0.55) NAAAALDH1A1S1PR2S1PR1S1PR3
SCHEMBL1836206 0.86 NAAA (0.55) NAAAALDH1A1S1PR2S1PR1S1PR3
SCHEMBL1834936 0.86 NAAA (0.55) NAAAALDH1A1S1PR2S1PR1S1PR3
SCHEMBL1837086 0.84 NAAA (0.56) NAAAALDH1A1LTB4R
SCHEMBL5067240 0.80 LTB4R (0.53) ALBALDH1A1SIGMAR1S1PR2S1PR1
SCHEMBL289761 0.80 LTB4R (0.53) ALBALDH1A1SIGMAR1S1PR2S1PR1
SCHEMBL1834753 0.80 NAAA (0.51) NAAAALDH1A1
SCHEMBL5033209 0.78 S1PR2 (0.50) ALBALDH1A1SIGMAR1S1PR2S1PR1
Iodofiltic Acid SCHEMBL4422554 0.78 S1PR2 (0.50) ALBALDH1A1SIGMAR1S1PR2S1PR1

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-4175544-A X-RAYS OF BODY FOR MEDICAL DIAGNOSIS Lafayette Pharmacal Inc. (US) 1979-11-27 US disclosed