SCHEMBL10454337

SCHEMBL10454337

CCCCNCC(C)=C(C)N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
ALOX15 P16050 1/20 0.35
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH7 P40394 1/20 0.34
PAOX Q6QHF9 1/20 0.33
MAOA P21397 1/20 0.33

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
SCHEMBL19582464 0.75
SCHEMBL2423250 0.74
SCHEMBL18545955 0.74
SCHEMBL12912097 0.71
SCHEMBL6701235 0.71
SCHEMBL28007107 0.71 GAA (0.56) TSHRALDH1A1GAAHDAC1HDAC2
SCHEMBL11667393 0.70 TSHR (0.55) TSHRALDH1A1GAAGRIN2DGRIN3B
Hydrochloric Acid SCHEMBL22771816 0.70 TSHR (0.46) TSHRALDH1A1GAAHDAC1HDAC2
Hydrochloric Acid SCHEMBL3946348 0.70 GAA (0.50) TSHRALDH1A1GAAHDAC1HDAC2
SCHEMBL11922795 0.70 TSHR (0.46) TSHRALDH1A1GAAHDAC1HDAC2

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
EP-0357215-A1 Ethylene alpha-olefin mannich base viscosity index improver/dispersant additives EXXON CHEMICAL PATENTS INC. (US) 1990-03-07 EP disclosed