SCHEMBL9749085

SCHEMBL9749085

CCCCC(NC(=O)Nc1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.56
EPHX1 P07099 3/20 0.52
ALDH1A1 P00352 2/20 0.52
HTT P42858 1/20 0.52
ROCK2 O75116 4/20 0.50
ROCK1 Q13464 3/20 0.50
TACR3 P29371 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
UTS2R Q9UKP6 2/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ENPP2 Q13822 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL15093398 0.89 POLB (0.56) HSD17B10ALDH1A1TACR3POLB
SCHEMBL15093708 0.84 TACR3 (0.53) ALDH1A1TACR3POLB
SCHEMBL8709321 0.84 HSD17B10 (0.63) HSD17B10EPHX1ALDH1A1ROCK2ROCK1
SCHEMBL10649583 0.84 HSD17B10 (0.49) HSD17B10EPHX1ALDH1A1HTTROCK2
SCHEMBL15093655 0.83 TACR3 (0.55) ALDH1A1TACR3POLB
SCHEMBL15093823 0.83 TACR3 (0.55) ALDH1A1TACR3POLB
SCHEMBL15093649 0.83 TACR3 (0.55) ALDH1A1TACR3POLB
SCHEMBL15093938 0.83 TACR3 (0.55) ALDH1A1TACR3POLB
Bromide SCHEMBL10650557 0.83 HSD17B10 (0.48) HSD17B10EPHX1ALDH1A1HTTROCK2
SCHEMBL894067 0.83 POLB (0.56) HSD17B10ALDH1A1TACR3POLB

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-5126483-A Anticholesterol and antilipemic agents MITSUBISHI KASEI CORPORATION (JP) 1992-06-30 US disclosed