SCHEMBL29312921

SCHEMBL29312921

Clc1cccc(Cl)c1Nc1ccccc1I

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 7/20 0.49
PTGS2 P35354 4/20 0.49
TTR P02766 3/20 0.49
PTGS1 P23219 2/20 0.49
ADRA1A P35348 2/20 0.49
AKR1B10 O60218 1/20 0.49
UGT1A9 O60656 1/20 0.49
TRPA1 O75762 1/20 0.49
ABCB11 O95342 1/20 0.49
MT-CO2 P00403 1/20 0.49
ALB P02768 1/20 0.49
UGT1A6 P19224 1/20 0.49
UGT1A1 P22309 1/20 0.49
CXCR1 P25024 1/20 0.49
AGTR2 P50052 1/20 0.49
NR1I3 Q14994 1/20 0.49
SLC22A6 Q4U2R8 1/20 0.49
NR1H4 Q96RI1 1/20 0.49
UGT1A7 Q9HAW7 1/20 0.49
UGT1A10 Q9HAW8 1/20 0.49

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
Ethane SCHEMBL21725157 0.78 CXCL8 (0.53) CXCL8PTGS2TTRPTGS1ADRA1A
SCHEMBL1686520 0.77 C1R (0.43) C1RGAAKMT2A
SCHEMBL9519211 0.75 CXCL8 (0.49) CXCL8PTGS2TTRPTGS1ADRA1A
SCHEMBL11332576 0.75 PTGS2 (0.49) CXCL8PTGS2C1RTSHRKMT2A
SCHEMBL2760393 0.75 PTGS2 (0.54) CXCL8PTGS2TTRPTGS1ADRA1A
SCHEMBL10662151 0.75 TTR (0.55) CXCL8PTGS2TTRPTGS1ADRA1A
SCHEMBL1686581 0.74 ADRA2A (0.52) CXCL8PTGS2TTRPTGS1ADRA1A
SCHEMBL5086126 0.73 CXCL8 (0.56) CXCL8PTGS2TTRPTGS1ADRA1A
SCHEMBL9641224 0.72 PTGS2 (0.63) CXCL8PTGS2TTRPTGS1ADRA1A
SCHEMBL18440593 0.71 C1R (0.42) PTGS2PTGS1TRPA1C1RCYP2C9

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
WO-2024147153-A1 PEPTIDE-HISTIDINAL CONJUGATES AS AN ANTI-MALARIAL AGENTS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2024-07-11 WO disclosed