SCHEMBL9583201

SCHEMBL9583201

Nc1ccc(CN(CCO)CCO)c(O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.51
ACHE P22303 3/20 0.50
POLB P06746 3/20 0.41
BCHE P06276 1/20 0.41
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
CDK1 P06493 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 4/20 0.37
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 3/20 0.37
HTT P42858 3/20 0.37
MAPK1 P28482 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 1/20 0.37
THRB P10828 1/20 0.37
APEX1 P27695 1/20 0.37
RECQL P46063 1/20 0.37
CACNA1B Q00975 1/20 0.37

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 SCHEMBL9582748 0.98 ACHE (0.53) PRKCIACHEPOLBBCHETSHR
SCHEMBL8977166 0.89 PRKCI (0.65) PRKCIACHEPOLBTSHRCASP1
SCHEMBL6272154 0.83 PRKCI (0.47) PRKCIACHEPOLBTSHRCASP1
SCHEMBL11117930 0.81 TYR (0.52) POLBBCHETSHRCDK1SMN1; SMN2
Hydrochloric Acid SCHEMBL6273900 0.81 ACHE (0.49) PRKCIACHEPOLBCDK1SMN1; SMN2
SCHEMBL10445566 0.77 PRKCI (0.50) PRKCIACHEPOLBBCHETSHR
Hydrochloric Acid SCHEMBL9593006 0.76 ACHE (0.51) PRKCIACHEPOLBBCHETSHR
SCHEMBL7598124 0.76 SMN1; SMN2 (0.48) PRKCIACHETSHRSMN1; SMN2MAPT
SCHEMBL8111489 0.76 ALDH1A1 (0.59) PRKCIACHEPOLBTSHRCASP1
SCHEMBL6152292 0.75 TYR (0.46) PRKCIACHEPOLBTSHRCASP1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220283032-A1 Hair Colorant Assessment, Selection And Formulation System Innovative Beauty LLC (US) 2022-09-08 US disclosed
US-11378457-B1 Hair colorant assessment, selection and formulation system Innovative Beauty LLC (US) 2022-07-05 US disclosed
US-11137291-B1 Hair colorant assessment, selection and formulation system Innovative Beauty LLC (US) 2021-10-05 US disclosed
US-5183941-A Aminophenol CLAIROL INCORPORATED (US) 1993-02-02 US disclosed
US-5073173-A Oxidative hair dye mixture CLAIROL INCORPORATED (US) 1991-12-17 US disclosed
EP-0398702-A2 Dye couplers Bristol-Myers Squibb Company (US) 1990-11-22 EP disclosed