SCHEMBL5417544

SCHEMBL5417544

CCCCc1ccc(N(C=O)c2ccc(C(=O)NO)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.56
HDAC1 Q13547 10/20 0.55
HDAC6 Q9UBN7 9/20 0.55
HDAC3 O15379 4/20 0.55
HDAC2 Q92769 4/20 0.55
NCOR2 Q9Y618 1/20 0.55
HDAC8 Q9BY41 5/20 0.52
TRPV1 Q8NER1 1/20 0.50
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.50
GALR3 O60755 1/20 0.50
RAB9A P51151 1/20 0.50
HDAC4 P56524 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49
HDAC5 Q9UQL6 2/20 0.49
THRA P10827 1/20 0.48
THRB P10828 1/20 0.48

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
SCHEMBL5381638 0.86 HDAC6 (0.55) PLK1HDAC1HDAC6HDAC3HDAC2
SCHEMBL6919330 0.85 PLK1 (0.74) PLK1HDAC1HDAC6HDAC3HDAC2
SCHEMBL3458378 0.84 ALDH1A1 (0.47) PLK1KDM4ETHRATHRBRARB
SCHEMBL4658151 0.81 HDAC1 (0.59) PLK1HDAC1HDAC6HDAC3HDAC2
SCHEMBL4657440 0.81 HDAC1 (0.59) PLK1HDAC1HDAC6HDAC3HDAC2
SCHEMBL8060359 0.81 HDAC1 (0.70) PLK1HDAC1HDAC6HDAC3HDAC2
SCHEMBL9504756 0.79 HDAC1 (0.73) PLK1HDAC1HDAC6HDAC3HDAC2
SCHEMBL5391604 0.78 HDAC6 (0.67) HDAC1HDAC6HDAC2HDAC8KDM4E
SCHEMBL10013045 0.78 ESR1 (0.52) TRPV1KDM4ETHRATHRB
SCHEMBL5385421 0.77 TRPV1 (0.76) PLK1HDAC1HDAC6HDAC3HDAC2

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-7282522-B2 Hydroxamic acid derivatives and the method for preparing thereof AMOREPACIFIC CORPORATION (KR) 2007-10-16 US claimed