SCHEMBL28279491

SCHEMBL28279491

CC(O)N(c1ccc(NCCO)c([N+](=O)[O-])c1)C(C)O

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.67
TSHR P16473 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
PKM P14618 1/20 0.48
MAPT P10636 6/20 0.46
HCAR3 P49019 4/20 0.45
NPSR1 Q6W5P4 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
GALR3 O60755 1/20 0.44
KAT2B Q92831 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL5552716 0.94 ALDH1A1 (0.58) ALDH1A1TSHRTDP1PKMMAPT
SCHEMBL6142287 0.89 ALDH1A1 (0.52) ALDH1A1TSHRTDP1MAPTHCAR3
SCHEMBL3093532 0.86 HCAR3 (0.60) ALDH1A1TSHRTDP1PKMMAPT
SCHEMBL9245595 0.83 ALDH1A1 (0.55) ALDH1A1TSHRTDP1PKMMAPT
SCHEMBL28924912 0.82 ALDH1A1 (0.78) ALDH1A1TSHRTDP1PKMMAPT
SCHEMBL1885551 0.81 HCAR3 (0.48) ALDH1A1TSHRTDP1MAPTHCAR3
SCHEMBL8799450 0.81 ALDH1A1 (0.80) ALDH1A1TSHRTDP1PKMMAPT
SCHEMBL8647818 0.81 ALDH1A1 (0.85) ALDH1A1TSHRTDP1PKMMAPT
SCHEMBL9384489 0.81 ALDH1A1 (0.76) ALDH1A1TSHRTDP1PKMMAPT
SCHEMBL109266 0.80 ALDH1A1 (1.00) ALDH1A1TSHRTDP1PKMMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109562047-A hair dye composition 株式会社漫丹 2019-04-02 CN disclosed
CN-109562038-A Hair dyeing feed composition 株式会社漫丹 2019-04-02 CN disclosed
CN-109562040-A hair dye composition 株式会社漫丹 2019-04-02 CN disclosed
CN-109562039-A Hair dyeing feed composition 株式会社漫丹 2019-04-02 CN disclosed