SCHEMBL3205224

SCHEMBL3205224

COCC(N)(O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.43
KCNN4 O15554 2/20 0.41
TACR1 P25103 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CHRM3 P20309 2/20 0.37
CYP2D6 P10635 1/20 0.37
MAPK1 P28482 1/20 0.37
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CES1 P23141 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL19884937 0.78 SMN1; SMN2 (0.47) ALOX15KCNN4ALDH1A1CYP1A2CYP2C9
SCHEMBL11495008 0.77 TACR1 (0.51) ALOX15KCNN4TACR1TAAR1ALDH1A1
SCHEMBL144971 0.77 TACR1 (0.51) ALOX15KCNN4TACR1TAAR1ALDH1A1
SCHEMBL6494684 0.77 KCNN4 (0.41) ALOX15KCNN4TAAR1ALDH1A1CYP1A2
SCHEMBL28979286 0.77 ALDH1A1 (0.45) ALOX15KCNN4TAAR1ALDH1A1CYP1A2
SCHEMBL42067 0.76 KCNN4 (0.46) KCNN4TAAR1ALDH1A1CYP1A2CYP2C9
SCHEMBL5085651 0.76 KCNN4 (0.46) KCNN4TAAR1ALDH1A1CYP1A2CYP2C9
SCHEMBL28065526 0.76 KCNN4 (0.46) KCNN4TAAR1ALDH1A1CYP1A2CYP2C9
SCHEMBL670716 0.75 CES1 (0.40) ALOX15KCNN4TAAR1ALDH1A1CYP1A2
SCHEMBL17313147 0.75 CYP1A2 (0.46) ALOX15KCNN4ALDH1A1CYP1A2CYP2C19

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