SCHEMBL4639799

SCHEMBL4639799

CCC([AsH2])(CC)c1cc(N)ccc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.44
PDE10A Q9Y233 1/20 0.44
ACHE P22303 3/20 0.43
CASP1 P29466 2/20 0.39
TSHR P16473 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ESR1 P03372 5/20 0.38
ESR2 Q92731 3/20 0.38
AR P10275 2/20 0.38
ALOX15 P16050 3/20 0.36
HSD17B10 Q99714 3/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP2C9 P11712 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
TNF P01375 1/20 0.36
CYP3A4 P08684 1/20 0.36
HSPD1 P10809 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL11518066 0.79 PRKCI (0.46) PRKCIPDE10AACHECASP1TSHR
SCHEMBL111108 0.79 PRKCI (0.46) PRKCIPDE10AACHECASP1TSHR
SCHEMBL22683203 0.78 PRKCI (0.44) PRKCIPDE10AACHECASP1TSHR
Hydrochloric Acid SCHEMBL6256851 0.78 ACHE (0.47) PRKCIPDE10AACHECASP1TSHR
SCHEMBL7153227 0.78 PRKCI (0.44) PRKCIPDE10AACHECASP1TSHR
SCHEMBL1498026 0.78 PRKCI (0.44) PRKCIPDE10AACHECASP1TSHR
SCHEMBL2874961 0.74 ALDH1A1 (0.61) PRKCIPDE10AACHECASP1TSHR
SCHEMBL3338261 0.72 PDE10A (0.50) PRKCIPDE10AACHECASP1TSHR
Hydrochloric Acid SCHEMBL11798129 0.72 ALDH1A1 (0.59) PRKCIPDE10AACHECASP1TSHR
SCHEMBL8440155 0.72 PDE10A (0.50) PRKCIPDE10AACHECASP1TSHR

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-1893165-A1 MULTICOMPONENT COMPOSITION FOR DYEING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-03-05 EP claimed
WO-2006131163-A1 MULTICOMPONENT COMPOSITION FOR DYEING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-12-14 WO claimed