SCHEMBL28512429

SCHEMBL28512429

Cc1ccccc1CC(N)(O)c1ccccc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.42
NR3C2 P08235 1/20 0.37
NR3C1 P04150 1/20 0.36
CASR P41180 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SSTR4 P31391 1/20 0.35
HPGD P15428 3/20 0.34
CTBP2 P56545 1/20 0.34
CHRM3 P20309 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL9850672 0.81 TAAR1 (0.45) TAAR1NR3C2NR3C1ALDH1A1KDM4E
SCHEMBL4989436 0.81 CHRM3 (0.42) TAAR1NR3C2NR3C1CASRALDH1A1
SCHEMBL28813593 0.79 TAAR1 (0.40) TAAR1NR3C2NR3C1ALDH1A1SSTR4
SCHEMBL9579122 0.75 TAAR1 (0.42) TAAR1NR3C2NR3C1ALDH1A1KDM4E
SCHEMBL808983 0.74 TAAR1 (0.45) TAAR1NR3C2NR3C1ALDH1A1KDM4E
SCHEMBL3638610 0.74 TAAR1 (0.52) TAAR1NR3C2ALDH1A1GAATDP1
SCHEMBL13722854 0.74 TAAR1 (0.45) TAAR1NR3C2NR3C1ALDH1A1GAA
SCHEMBL29987056 0.74 TAAR1 (0.52) TAAR1NR3C2ALDH1A1GAATDP1
SCHEMBL15976426 0.74 TAAR1 (0.45) TAAR1NR3C2NR3C1ALDH1A1GAA
SCHEMBL28516418 0.74 TAAR1 (0.36) TAAR1NR3C2ALDH1A1KDM4EGAA

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
CN-112312880-A Oxidative hair lighteners or hair colorants with improved application properties 汉高股份有限及两合公司 2021-02-02 CN disclosed
CN-112312881-A Cold-prepared oxidative hair lighteners or hair colorants for secondary coloration 汉高股份有限及两合公司 2021-02-02 CN disclosed