SCHEMBL28301405

SCHEMBL28301405

C=C(C)C(=O)N(CCCC)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.54
HDAC1 Q13547 4/20 0.54
LIMK1 P53667 1/20 0.52
LIMK2 P53671 1/20 0.52
HDAC3 O15379 3/20 0.51
HDAC2 Q92769 3/20 0.51
PKM P14618 1/20 0.51
HDAC4 P56524 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
LTB4R2 Q9NPC1 3/20 0.49
CNR2 P34972 1/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
REN P00797 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
SCHEMBL31518844 0.95 CNR2 (0.54) HDAC6HDAC1LIMK1LIMK2HDAC3
SCHEMBL25287086 0.94 CNR2 (0.56) HDAC6HDAC1LIMK1LIMK2HDAC3
SCHEMBL21734170 0.94 CNR2 (0.56) HDAC6HDAC1LIMK1LIMK2HDAC3
SCHEMBL20275387 0.94 CNR2 (0.56) HDAC6HDAC1LIMK1LIMK2HDAC3
SCHEMBL9906101 0.94 CNR2 (0.56) HDAC6HDAC1LIMK1LIMK2HDAC3
SCHEMBL9906098 0.91 LMNA (0.53) LMNAGAAREN
SCHEMBL1629312 0.85 LMNA (0.55) LMNA
SCHEMBL22542298 0.85 ALDH1A1 (0.50) CNR2LMNAREN
SCHEMBL15284755 0.84 HDAC3 (0.50) HDAC6HDAC1LIMK2HDAC3HDAC2
SCHEMBL9906090 0.84 MEN1 (0.46) LMNAREN

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-109782553-A Photoresist developer 台湾积体电路制造股份有限公司 2019-05-21 CN disclosed