SCHEMBL8524683

SCHEMBL8524683

CCCCCCCCCCCCCc1ccccc1N=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.53
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
NR1H2 P55055 1/20 0.47
NR1H3 Q13133 1/20 0.47
BID P55957 3/20 0.45
MCL1 Q07820 3/20 0.45
BCL2L1 Q07817 2/20 0.45
BAK1 Q16611 2/20 0.45
KAT8 Q9H7Z6 2/20 0.45
PPARA Q07869 2/20 0.45
PPARG P37231 1/20 0.45
EP300 Q09472 1/20 0.45
KAT2A Q92830 1/20 0.45
KAT2B Q92831 1/20 0.45
KAT5 Q92993 1/20 0.45
SAE1 Q9UBE0 1/20 0.45
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44

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
SCHEMBL27540250 0.92 CYP3A4 (0.56) LIPGCYP3A4CYP2D6CYP2C9NR1H2
Ammonia Solution, Strong SCHEMBL8748451 0.91 CYP3A4 (0.54) LIPGCYP3A4CYP2D6CYP2C9NR1H2
SCHEMBL21065715 0.85 LIPG (0.56) LIPGCYP3A4CYP2D6CYP2C9NR1H2
SCHEMBL8995810 0.81 LIPG (0.53) LIPGCYP3A4CYP2D6CYP2C9NR1H2
SCHEMBL10518779 0.81 LIPG (0.53) LIPGCYP3A4CYP2D6CYP2C9NR1H2
SCHEMBL5884676 0.81 LIPG (0.49) LIPGCYP3A4CYP2D6CYP2C9NR1H2
SCHEMBL10400982 0.81 LIPG (0.49) LIPGCYP3A4CYP2D6CYP2C9NR1H2
SCHEMBL5885360 0.81 LIPG (0.49) LIPGCYP3A4CYP2D6CYP2C9NR1H2
SCHEMBL13725696 0.81 LIPG (0.49) LIPGCYP3A4CYP2D6CYP2C9NR1H2
SCHEMBL5885134 0.81 LIPG (0.49) LIPGCYP3A4CYP2D6CYP2C9NR1H2

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-5876703-A CELL DIFFERENTIATION OF HAIR MATRIX CELLS KAO CORPORATION (JP) 1999-03-02 US disclosed