SCHEMBL28038529

SCHEMBL28038529

CCCN(Cc1cc(N)ccc1O)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.57
ACHE P22303 3/20 0.55
APP P05067 1/20 0.42
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP3A4 P08684 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 1/20 0.41
TNF P01375 1/20 0.41
HSPD1 P10809 1/20 0.41
THRB P10828 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTGS2 P35354 1/20 0.41
KDR P35968 1/20 0.41
BRCA1 P38398 1/20 0.41

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
SCHEMBL28837441 0.80 PRKCI (0.73) PRKCIACHEKMT2AALDH1A1KDM4E
SCHEMBL15055901 0.78 TSHR (0.47) PRKCIACHEALDH1A1CYP3A4HPGD
SCHEMBL5929698 0.76 GRIN2D (0.54) ALDH1A1KDM4EMAOALMNA
SCHEMBL21214919 0.74 PRKCI (0.48) PRKCIACHEALDH1A1CYP3A4TDP1
SCHEMBL440146 0.74 PRKCI (0.68) PRKCIACHEKMT2AALDH1A1KDM4E
SCHEMBL111109 0.73 PRKCI (1.00) PRKCIACHEAPPKMT2AALDH1A1
SCHEMBL29565648 0.73 PRKCI (1.00) PRKCIACHEAPPKMT2AALDH1A1
Hydrochloric Acid SCHEMBL4856507 0.73 ACHE (0.69) PRKCIACHEKMT2AALDH1A1KDM4E
Hydrochloric Acid SCHEMBL1998660 0.72 ACHE (1.00) PRKCIACHEKMT2AALDH1A1KDM4E
Hydrochloric Acid SCHEMBL1998656 0.72 ACHE (1.00) PRKCIACHEKMT2AALDH1A1KDM4E

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
CN-104955358-A Kit for coloring hair UNILEVER NV 2015-09-30 CN disclosed