SCHEMBL6449127

SCHEMBL6449127

C=CC(=O)N[N+](CC)(CC)CCC

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
TSHR P16473 4/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
HPGD P15428 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
Hydrochloric Acid SCHEMBL10767222 0.98 ZDHHC20 (0.39) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL8976914 0.78 ZDHHC20 (0.41) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL176022 0.78 ZDHHC20 (0.41) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
Hydrochloric Acid SCHEMBL5487748 0.76 ZDHHC20 (0.40) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL9651437 0.72 TGFBR1 (0.32)
Hydrochloric Acid SCHEMBL2918034 0.71 TSHR (0.39) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL4126549 0.71 ZDHHC20 (0.47) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL27594490 0.71 ZDHHC20 (0.47) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
Sulfuric Acid SCHEMBL27766767 0.71 ZDHHC20 (0.36) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
Bromide SCHEMBL25324391 0.69 ZDHHC20 (0.46) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1

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-6942851-B2 Composition for the treatment of human hair KPSS-KAO PROFESSIONAL SALON SERVICES GMBH (DE) 2005-09-13 US claimed