SCHEMBL4610835

SCHEMBL4610835

CC(CCO)CCNCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
TDP1 Q9NUW8 1/20 0.53
MAOA P21397 1/20 0.48
CHRM2 P08172 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
TRPA1 O75762 1/20 0.46
SIGMAR1 Q99720 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
THRB P10828 1/20 0.44
IDO1 P14902 1/20 0.44
MITF O75030 1/20 0.44
MPO P05164 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
SCHEMBL1515643 0.84 ALDH1A1 (0.50) MEN1KMT2ATDP1MAOAMAPT
SCHEMBL16204644 0.84 MEN1 (0.55) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL20468309 0.82 MEN1 (0.57) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL20347684 0.82 MEN1 (0.57) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL19739064 0.81 MEN1 (0.52) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL26127761 0.80 MEN1 (0.59) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL11253767 0.80 MEN1 (0.59) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL2305794 0.80 MEN1 (0.59) MEN1KMT2ATDP1MAOACHRM2
SCHEMBL5784665 0.80 MEN1 (0.64) MEN1KMT2ATDP1MAOACHRM2
Isopropyl Alcohol SCHEMBL17927504 0.77 MEN1 (0.74) MEN1KMT2ATDP1MAOACHRM2

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
EP-1074541-B1 Method for manufacturing aminoalcohol KURARAY CO LTD KURASHIKI PLANT (JP) 2008-10-22 EP disclosed
EP-1074541-A1 Method for manufacturing aminoalcohol Kuraray Co., Ltd., Kurashiki Plant (JP) 2001-02-07 EP disclosed