SCHEMBL16485201

SCHEMBL16485201

CC(C)(C)CNCCCCCC(=O)C=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 3/20 0.38
HDAC6 Q9UBN7 3/20 0.35
CASP2 P42575 1/20 0.32
ADRA1A P35348 1/20 0.32
HDAC3 O15379 3/20 0.32
HDAC1 Q13547 3/20 0.32
HDAC2 Q92769 3/20 0.32
HDAC8 Q9BY41 3/20 0.32
HDAC5 Q9UQL6 2/20 0.32
HDAC4 P56524 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
POLB P06746 1/20 0.32
POLA1 P09884 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL2421572 0.79 ADRA1A (0.48) ADRA1AHDAC11ALDH1A1
SCHEMBL10247191 0.76 LMNA (0.42) ADRA1AHDAC11ALDH1A1
SCHEMBL13458400 0.76 CYP2C19 (0.48) PAOXCASP2TRPA1
SCHEMBL4811015 0.74 HDAC3 (0.43) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL15187262 0.74 MEN1 (0.63) PAOXCASP2MAOAMAOBALDH1A1
SCHEMBL19861314 0.74 MEN1 (0.42) PAOXHDAC6CASP2HDAC3HDAC1
SCHEMBL19861326 0.74 MEN1 (0.42) PAOXHDAC6CASP2HDAC3HDAC1
SCHEMBL15187048 0.74 MEN1 (0.63) PAOXCASP2MAOAMAOBALDH1A1
SCHEMBL13534918 0.74 KDM4A (0.42) PAOXCASP2ADRA1APOLBPOLA1
SCHEMBL23945743 0.73 PAOX (0.36) PAOXHDAC6ADRA1A

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
WO-2014057687-A1 ANTIBODY-DRUG CONJUGATE 第一三共株式会社 (JP) 2014-04-17 WO disclosed