SCHEMBL3205214

SCHEMBL3205214

COC(N)(CO)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 2/20 0.41
CES1 P23141 1/20 0.40
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPK1 P28482 1/20 0.37
KIF11 P52732 4/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL28191621 0.81 TAAR1 (0.50) KCNN4CES1TAAR1MAPK1KIF11
SCHEMBL9288039 0.81 KCNN4 (0.42) KCNN4CES1KDM4ETAAR1ALDH1A1
Hydrochloric Acid SCHEMBL7409176 0.79 KCNN4 (0.41) KCNN4CES1KDM4ETAAR1ALDH1A1
SCHEMBL16487248 0.78 KCNN4 (0.39) KCNN4CES1KDM4ETAAR1CYP1A2
SCHEMBL28982645 0.76 CES1 (0.42) KCNN4CES1ALDH1A1CYP1A2CYP2D6
SCHEMBL670714 0.74 KCNN4 (0.47) KCNN4CES1KDM4ETAAR1ALDH1A1
SCHEMBL11292919 0.74 LMNA (0.45) KCNN4CES1KDM4ETAAR1ALDH1A1
SCHEMBL8990308 0.74 CES1 (0.42) KCNN4CES1KDM4ETAAR1ALDH1A1
SCHEMBL1455824 0.73 TAAR1 (0.50) KCNN4KDM4EPOLBTAAR1ALDH1A1
SCHEMBL744277 0.73 TAAR1 (0.50) KCNN4KDM4EPOLBTAAR1ALDH1A1

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
US-7815692-B1 Hair coloring compositions Universal Beauty Products, Inc. (US) 2010-10-19 US disclosed