SCHEMBL10649583

SCHEMBL10649583

CCCCC(NC(=O)Nc1ccccc1)NC(CCC)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.49
EPHX1 P07099 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HTT P42858 1/20 0.46
CNR2 P34972 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 1/20 0.44
ENPP2 Q13822 1/20 0.43
GAA P10253 1/20 0.42
FPR2 P25090 1/20 0.42
CTSK P43235 1/20 0.42
ROCK2 O75116 2/20 0.42
ROCK1 Q13464 2/20 0.42
HDAC3 O15379 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42

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
Bromide SCHEMBL10650557 0.99 HSD17B10 (0.48) HSD17B10EPHX1ALDH1A1HTTCNR2
SCHEMBL9749085 0.84 HSD17B10 (0.56) HSD17B10EPHX1ALDH1A1HTTMEN1
SCHEMBL10648073 0.77 ITGB3 (0.47) EPHX1ALDH1A1HTTMEN1KMT2A
Bromide SCHEMBL10649465 0.77 GAA (0.54) HSD17B10EPHX1CNR2MEN1KMT2A
SCHEMBL11585568 0.76 HSD17B10 (0.55) HSD17B10EPHX1ALDH1A1HTTMEN1
Bromide SCHEMBL10647943 0.75 HSD17B10 (0.50) HSD17B10EPHX1ALDH1A1HTTCNR2
SCHEMBL8709321 0.75 HSD17B10 (0.63) HSD17B10EPHX1ALDH1A1SMN1; SMN2ROCK2
SCHEMBL10648220 0.75 CNR2 (0.51) EPHX1ALDH1A1HTTCNR2MEN1
SCHEMBL10596369 0.74 ENPP2 (0.59) HSD17B10EPHX1ALDH1A1HTTMEN1
SCHEMBL6379798 0.74 FPR2 (0.63) HSD17B10EPHX1ALDH1A1HTTMEN1

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-4752621-A Arylalkyl amines useful for lowering intraocular pressure SYNTEX (U.S.A.) INC. (US) 1988-06-21 US claimed