SCHEMBL29112012

SCHEMBL29112012

CCCCCOCCCCC.c1ccc2c(c1)-c1ccccc1-2

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.48
TSHR P16473 4/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPK1 P28482 1/20 0.47
MEN1 O00255 1/20 0.46
THRB P10828 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 1/20 0.46
PTPN1 P18031 1/20 0.46
ALDH1A1 P00352 4/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.42
APAF1 O14727 1/20 0.41
RAD52 P43351 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PTPN11 Q06124 1/20 0.41

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
Biphenyl SCHEMBL3197075 0.84 LTA4H (0.52) LTA4HTSHRTP53CYP3A4MAPK1
O-Xylene SCHEMBL29084625 0.84 LTA4H (0.47) LTA4HTSHRTP53CYP3A4MAPK1
Biphenyl SCHEMBL15361699 0.82 LTA4H (0.50) LTA4HTSHRTP53CYP3A4MAPK1
Biphenyl SCHEMBL15361529 0.82 LTA4H (0.50) LTA4HTSHRTP53CYP3A4MAPK1
Catechol SCHEMBL16634432 0.82 TSHR (0.48) LTA4HTSHRTP53CYP3A4MAPK1
Biphenyl SCHEMBL7863473 0.82 LTA4H (0.50) LTA4HTSHRTP53CYP3A4MAPK1
Biphenyl SCHEMBL15361572 0.82 LTA4H (0.50) LTA4HTSHRTP53CYP3A4MAPK1
Biphenyl SCHEMBL2848356 0.82 LTA4H (0.50) LTA4HTSHRTP53CYP3A4MAPK1
Biphenyl SCHEMBL2991687 0.82 LTA4H (0.50) LTA4HTSHRTP53CYP3A4MAPK1
Biphenyl SCHEMBL1263228 0.82 LTA4H (0.50) LTA4HTSHRTP53CYP3A4MAPK1

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
CN-116925027-A Compound for photosensitive resin, heat-resistant resin, photosensitive resin composition, patterned film, and display device 武汉柔显科技股份有限公司 2023-10-24 CN disclosed