SCHEMBL8094260

SCHEMBL8094260

COC(=O)CCCCCCCCC(=O)Cc1ccc(Cl)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.57
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
ACLY P53396 1/20 0.45
PGK1 P00558 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
ALDH1A1 P00352 2/20 0.45
HTT P42858 2/20 0.45
MEN1 O00255 1/20 0.45
THRB P10828 1/20 0.45
KMT2A Q03164 1/20 0.45
RECQL P46063 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44

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
SCHEMBL837451 0.82 ALDH1A1 (0.56) MAPTL3MBTL1ALDH1A1HTTMEN1
SCHEMBL1525623 0.81 ALDH1A1 (0.54) MAPTL3MBTL1ALDH1A1HTTMEN1
SCHEMBL11532393 0.79 MAPT (0.57) MAPTCYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL7897889 0.78 MAPT (0.57) MAPTCYP1A2CYP3A4CYP2C19L3MBTL1
SCHEMBL9210610 0.77 SLC6A2 (0.46) CYP1A2CYP3A4CYP2C19L3MBTL1THRB
SCHEMBL8090599 0.77 ALDH1A1 (0.49) MAPTL3MBTL1ALDH1A1HTTMEN1
SCHEMBL28940593 0.77 IDO1 (0.54) CYP1A2CYP3A4CYP2C19L3MBTL1KMT2A
SCHEMBL10900050 0.76 ALDH1A1 (0.45) CYP3A4PGK1L3MBTL1ALDH1A1HTT
SCHEMBL1137595 0.75 RECQL (0.47) L3MBTL1ALDH1A1HTTMEN1THRB
SCHEMBL9446561 0.75 MAPT (0.74) MAPTCYP1A2CYP3A4CYP2C19L3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6150304-A HERBICIDES, INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-11-21 US disclosed
US-5840661-A HERBICIDES OR INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1998-11-24 US disclosed