SCHEMBL22914733

SCHEMBL22914733

CCCCC(CC)COc1ccc(C2=C3C(=O)NC(c4ccc(OC(CC)CCCC)cc4)=C3C(=O)N2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 8/20 0.39
CYP3A4 P08684 4/20 0.34
ALDH1A1 P00352 3/20 0.34
CA2 P00918 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PLA2G10 O15496 1/20 0.33
PLA2G1B P04054 1/20 0.33
PLA2G5 P39877 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 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
SCHEMBL16492016 0.92 CYP3A4 (0.39) PLA2G2ACYP3A4ALDH1A1CA2TDP1
SCHEMBL20357876 0.75 CYP3A4 (0.47) CYP3A4ALDH1A1CA2TDP1L3MBTL1
SCHEMBL1356320 0.74 ALDH1A1 (0.50) CYP3A4ALDH1A1CA2TDP1L3MBTL1
SCHEMBL1357035 0.74 ALDH1A1 (0.50) CYP3A4ALDH1A1CA2TDP1L3MBTL1
SCHEMBL12424848 0.74 BDKRB2 (0.40) CYP3A4ALDH1A1CA2TDP1L3MBTL1
SCHEMBL19011934 0.73 FFAR1 (0.44) PLA2G2ACYP3A4MAPT
SCHEMBL25636560 0.73 RARB (0.50) CYP3A4LMNACYP1A2CYP2D6CYP19A1
SCHEMBL17085502 0.72 RARB (0.52) CYP3A4LMNACYP1A2CYP2D6CYP19A1
SCHEMBL13581607 0.70 CYP3A4 (0.43) CYP3A4ALDH1A1CA2TDP1L3MBTL1
SCHEMBL2032217 0.70 ALDH1A1 (0.44) CYP3A4ALDH1A1CA2TDP1L3MBTL1

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-20210024821-A1 RESIN COMPOSITION AND MOLDED ARTICLE DIC CORPORATION (JP) 2021-01-28 US disclosed