SCHEMBL8649205

SCHEMBL8649205

CCCNN(CC)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
ALOX12 P18054 1/20 0.38
CRHBP P24387 1/20 0.38
HTT P42858 1/20 0.38
CRHR2 Q13324 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
TP53 P04637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NR3C2 P08235 1/20 0.35
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34

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
Hydrochloric Acid SCHEMBL8619257 0.98 TSHR (0.38) TSHRALDH1A1GLAGAAMAPT
SCHEMBL4823355 0.84 ALDH1A1 (0.41) TSHRALDH1A1GLAGAAMAPT
SCHEMBL7982311 0.83 ALDH1A1 (0.44) TSHRALDH1A1GLAMAPTALOX12
SCHEMBL10640116 0.82 ALDH1A1 (0.40) TSHRALDH1A1GLAGAAMAPT
SCHEMBL31621214 0.80 MAOA (0.37) TSHRALDH1A1GLAKDM4ENR3C2
Sulfuric Acid SCHEMBL9176280 0.77 ALDH1A1 (0.40) TSHRALDH1A1GLAGAAMAPT
SCHEMBL7974597 0.77 SIGMAR1 (0.41) TSHRALDH1A1GLAGAAMAPT
SCHEMBL8978987 0.76 ALDH1A1 (0.43) TSHRALDH1A1GLAKMT2AMEN1
SCHEMBL22444465 0.75 HTT (0.41) TSHRALDH1A1GLAGAAMAPT
Oxalic Acid SCHEMBL28200874 0.75 KDM4E (0.50) TSHRALDH1A1GLAKMT2AMEN1

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
US-5710012-A DETECTION OF CHOLESTEROL BY RELEASE OF HYDROGEN PEROXIDE ACTIMED LABORATORIES, INC. (US) 1998-01-20 US claimed
US-5710012-A DETECTION OF CHOLESTEROL BY RELEASE OF HYDROGEN PEROXIDE ACTIMED LABORATORIES, INC. (US) 1998-01-20 US disclosed
US-5518891-A SUBSTITUTED ANILINES, HYDRAZONES OR 4-AMINOANTIPYRINES ACTIMED LABORATORIES, INC. (US) 1996-05-21 US disclosed