SCHEMBL29112005

SCHEMBL29112005

C1=Cc2ccccc21.C1=Cc2ccccc21.CCCCCOCCCCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.46
TSHR P16473 3/20 0.44
CYP3A4 P08684 3/20 0.44
MAPK1 P28482 2/20 0.44
TP53 P04637 1/20 0.44
MEN1 O00255 2/20 0.43
HTT P42858 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
THRB P10828 1/20 0.43
ALDH1A1 P00352 5/20 0.43
LMNA P02545 3/20 0.43
HPGD P15428 1/20 0.40
APAF1 O14727 1/20 0.40
RAD52 P43351 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39
NR1I2 O75469 1/20 0.39
CHRM2 P08172 1/20 0.39

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
Toluene SCHEMBL4953353 0.83 LTA4H (0.50) LTA4HTSHRCYP3A4MAPK1TP53
SCHEMBL29112012 0.82 LTA4H (0.48) LTA4HTSHRCYP3A4MAPK1TP53
Toluene SCHEMBL11062278 0.81 LTA4H (0.48) LTA4HTSHRCYP3A4MAPK1TP53
O-Xylene SCHEMBL29084625 0.80 LTA4H (0.47) LTA4HTSHRCYP3A4MAPK1TP53
Biphenyl SCHEMBL3197075 0.80 LTA4H (0.52) LTA4HTSHRCYP3A4MAPK1TP53
Biphenyl SCHEMBL15361572 0.78 LTA4H (0.50) LTA4HTSHRCYP3A4MAPK1TP53
Biphenyl SCHEMBL7863473 0.78 LTA4H (0.50) LTA4HTSHRCYP3A4MAPK1TP53
Catechol SCHEMBL16634432 0.78 TSHR (0.48) LTA4HTSHRCYP3A4MAPK1TP53
Biphenyl SCHEMBL1263228 0.78 LTA4H (0.50) LTA4HTSHRCYP3A4MAPK1TP53
Biphenyl SCHEMBL2989570 0.78 LTA4H (0.50) LTA4HTSHRCYP3A4MAPK1TP53

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