SCHEMBL28196008

SCHEMBL28196008

CC(C)c1ccc(C(C)C)c(-c2ccc(O)cc2)c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 4/20 0.45
SENP1 Q9P0U3 1/20 0.41
ESR1 P03372 4/20 0.38
ESR2 Q92731 4/20 0.38
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
HSD17B1 P14061 1/20 0.35
LTA4H P09960 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
ALDH1A1 P00352 2/20 0.35
ALOX15 P16050 2/20 0.35
HSD17B10 Q99714 2/20 0.35
LMNA P02545 2/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 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
SCHEMBL466757 0.86 SENP1 (0.48) USP7SENP1ESR1ESR2PDE4A
SCHEMBL29392999 0.86 SENP1 (0.48) USP7SENP1ESR1ESR2PDE4A
SCHEMBL5581681 0.81 SENP1 (0.45) USP7SENP1ESR1ESR2PDE4A
SCHEMBL1073583 0.78 GABRA1 (0.54) USP7SENP1ESR1ESR2PDE4A
SCHEMBL28119491 0.76 GABRA1 (0.52) USP7SENP1ESR1ESR2PDE4A
SCHEMBL2551509 0.74 USP7 (0.54) USP7SENP1ESR1ESR2PDE4A
SCHEMBL11223665 0.73 GABRA1 (0.52) USP7SENP1ESR1ESR2PDE4A
SCHEMBL31402580 0.73 HSD17B1 (0.39) USP7SENP1ESR1ESR2HSD17B1
SCHEMBL28308128 0.73 PREP (0.38) USP7SENP1ESR1ESR2PDE4A
SCHEMBL113297 0.73 TDP1 (0.46) ALDH1A1HSD17B10HPGDKDM4ECYP3A4

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
CN-107531652-A Aromatic diamine, intermediate thereof, and processes for producing these 精化株式会社 2018-01-02 CN disclosed