SCHEMBL28512430

SCHEMBL28512430

CC(C)(c1ccccc1)C(N)(O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.46
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 2/20 0.43
TAAR1 Q96RJ0 2/20 0.43
ALOX15 P16050 1/20 0.43
LMNA P02545 1/20 0.42
ESR1 P03372 2/20 0.41
ESR2 Q92731 2/20 0.41
CYP3A4 P08684 2/20 0.41
MAPK1 P28482 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 2/20 0.39
HIF1A Q16665 1/20 0.39
SLC6A2 P23975 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38

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
SCHEMBL41959 0.79 ALDH1A1 (0.50) KCNN4MAPTKMT2AALDH1A1TAAR1
SCHEMBL31322218 0.79 ALDH1A1 (0.44) KCNN4MAPTKMT2AALDH1A1TAAR1
Hydrogen Peroxide SCHEMBL27577220 0.79 ALDH1A1 (0.55) KCNN4MAPTKMT2AALDH1A1TAAR1
SCHEMBL9891044 0.77 ALDH1A1 (0.48) KCNN4MAPTKMT2AALDH1A1TAAR1
SCHEMBL3818905 0.77 KCNN4 (0.52) KCNN4MAPTKMT2AALDH1A1TAAR1
SCHEMBL4145653 0.77 KCNN4 (0.52) KCNN4MAPTKMT2AALDH1A1TAAR1
SCHEMBL1258172 0.77 KCNN4 (0.52) KCNN4MAPTKMT2AALDH1A1TAAR1
SCHEMBL96177 0.76 MAPK1 (0.55) KCNN4MAPTKMT2AALDH1A1TAAR1
SCHEMBL28231980 0.75 KCNN4 (0.50) KCNN4MAPTKMT2AALDH1A1TAAR1
Hydrogen Peroxide SCHEMBL5702269 0.74 ALDH1A1 (0.50) KCNN4MAPTKMT2AALDH1A1TAAR1

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