SCHEMBL8978190

SCHEMBL8978190

NC(=O)N=CCCC(=O)NCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.57
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 2/20 0.51
HTT P42858 1/20 0.51
EPHX2 P34913 6/20 0.49
FAAH O00519 3/20 0.49
SLC1A1 P43005 1/20 0.49
TSHR P16473 3/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HPGD P15428 1/20 0.49
RECQL P46063 1/20 0.49
POLB P06746 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CNR1 P21554 2/20 0.47
CNR2 P34972 2/20 0.47

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
SCHEMBL7990865 0.76 GAA (0.66) GAAMEN1KMT2AALDH1A1HTT
SCHEMBL4900724 0.76 GAA (0.70) GAAMEN1KMT2AALDH1A1HTT
SCHEMBL7353744 0.76 GAA (0.75) GAAMEN1KMT2AALDH1A1HTT
SCHEMBL15573824 0.75 GAA (0.64) GAAMEN1KMT2AALDH1A1HTT
SCHEMBL27703735 0.74 MEN1 (0.83) GAAMEN1KMT2AALDH1A1HTT
Hydrochloric Acid SCHEMBL1128739 0.74 GAA (0.72) GAAMEN1KMT2AALDH1A1HTT
SCHEMBL8978253 0.73 ALDH1A1 (0.50) MEN1KMT2AALDH1A1TSHRCYP2C19
SCHEMBL2942358 0.73 MEN1 (0.96) GAAMEN1KMT2AALDH1A1HTT
SCHEMBL2109312 0.72 GAA (0.63) GAAMEN1KMT2AALDH1A1HTT
SCHEMBL93948 0.72 GAA (0.75) GAAMEN1KMT2AALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0378930-B1 Cyclic urea derivative NIPPON PAINT CO LTD (JP) 1996-05-08 EP disclosed
US-5385985-A Cyclic urea derivative NIPPON PAINT CO., LTD. (JP) 1995-01-31 US disclosed
EP-0378930-A1 Cyclic urea derivative NIPPON PAINT CO., LTD. (JP) 1990-07-25 EP disclosed