SCHEMBL8990128

SCHEMBL8990128

C=C(C)C(=O)OCN1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
ALDH1A1 P00352 5/20 0.43
THRB P10828 1/20 0.41
GAA P10253 2/20 0.37
HTT P42858 2/20 0.34
CHRM1 P11229 3/20 0.33
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM3 P20309 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 1/20 0.33
POLB P06746 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
APEX1 P27695 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL25166535 0.98 TSHR (0.42) TSHRALDH1A1THRBGAAHTT
SCHEMBL21208373 0.85 TSHR (0.41) TSHRALDH1A1THRBTDP1
SCHEMBL11951503 0.83 TSHR (0.40) TSHRALDH1A1THRBGAA
SCHEMBL22166420 0.83 PIK3CD (0.46) TSHRALDH1A1THRBL3MBTL1TDP1
SCHEMBL9659341 0.83 TSHR (0.40) TSHRALDH1A1THRBCHRM5CHRM3
SCHEMBL283785 0.83 ALDH1A1 (0.43) TSHRALDH1A1THRBGAAMAPT
SCHEMBL19881273 0.81 ALDH1A1 (0.39) TSHRALDH1A1THRB
SCHEMBL68168 0.81 THRB (0.47) TSHRALDH1A1THRBCHRM1CHRM2
SCHEMBL28869445 0.81 GAA (0.33) ALDH1A1GAAMAPTPOLB
SCHEMBL21274378 0.79 KMT2A (0.46) TSHRALDH1A1THRBMAPTHPGD

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-0721604-A1 USE OF AZO DYES IN NON-LINEAR OPTICS BASF AKTIENGESELLSCHAFT (DE) 1996-07-17 EP disclosed
WO-1995009382-A1 USE OF AZO DYES IN NON-LINEAR OPTICS BASF AKTIENGESELLSCHAFT (DE) 1995-04-06 WO disclosed