SCHEMBL27345980

SCHEMBL27345980

CCCCCCCCCCCCCCONc1ccccc1CC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.45
▸ ALDH1A1 P00352 5/20 0.42
▸ LMNA P02545 3/20 0.42
▸ TSHR P16473 2/20 0.42
▸ CYP3A4 P08684 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ PLK1 P53350 1/20 0.39
▸ MAPT P10636 4/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ HDAC11 Q96DB2 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC9 Q9UKV0 1/20 0.39
▸ HDAC5 Q9UQL6 1/20 0.39

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
SCHEMBL28058630 0.89 LIPG (0.47) ALDH1A1LMNATSHRLIPG
SCHEMBL27703122 0.86 POLB (0.42) POLBALDH1A1TP53MAPTHDAC6
SCHEMBL28310687 0.80 ALDH1A1 (0.42) ALDH1A1LMNATSHRCYP3A4TP53
SCHEMBL16742379 0.80 ALDH1A1 (0.48) POLBALDH1A1LMNATSHRCYP3A4
Benzyl Alcohol SCHEMBL27736133 0.79 LIPG (0.42) ALDH1A1LMNAPLK1MAPTKDM4E
SCHEMBL9702942 0.78 MAPT (0.44) POLBALDH1A1LMNAMAPTHDAC6
SCHEMBL8756694 0.78 KDM4E (0.49) ALDH1A1LMNATSHRMAPTHDAC6
SCHEMBL28839036 0.77 THRB (0.55) ALDH1A1LMNATSHRCYP3A4TP53
SCHEMBL15486326 0.75 KDM4E (0.47) ALDH1A1LMNATSHRMAPTHDAC6
SCHEMBL11672538 0.75 LTA4H (0.46) ALDH1A1LMNATSHRCYP3A4TP53

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-1035381-C Radicicol derivatives, their preparation and their anti-tumor activity SANKYO CO (JP) 1997-07-09 — — CN disclosed
CN-1059720-A Radicicol derivatives, its preparation method and anti-tumor activity thereof SANKYO CO (JP) 1992-03-25 — — CN disclosed
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