SCHEMBL9627129

SCHEMBL9627129

C=CCN1CCN(CC=C)C(=O)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
CYP3A4 P08684 1/20 0.37
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
HTR2B P41595 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
SCHEMBL7132415 0.82 CYP3A4 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4084258 0.80 PLA2G2A (0.44) LMNAGAA
SCHEMBL8773347 0.79 CYP3A4 (0.39) CYP3A4ADRA1DADRA1AADRA1BLMNA
SCHEMBL9836861 0.78 CYP3A4 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8958844 0.78 CYP3A4 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5139880 0.75
SCHEMBL3944907 0.74 SMN1; SMN2 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9081577 0.74
SCHEMBL462082 0.73 CYP3A4 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11182714 0.73 PARP1 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0303501-B1 SULFUR DIOXIDE REMOVAL FROM GAS STREAMS USING SUBSTITUTED PIPERAZINONES THE DOW CHEMICAL COMPANY (US) 1992-05-13 EP disclosed
EP-0421794-A2 Preparation of piperazinones for use as sulfur dioxide absorbents THE DOW CHEMICAL COMPANY (US) 1991-04-10 EP disclosed
US-4980471-A Preparation of piperazinones for use as sulfur dioxide absorbents THE DOW CHEMICAL COMPANY (US) 1990-12-25 US disclosed
EP-0303501-A2 Sulfur dioxide removal from gas streams using substituted piperazinones THE DOW CHEMICAL COMPANY (US) 1989-02-15 EP disclosed
US-4783327-A Sulfur dioxide removal from gas streams using hydroxyalkyl substituted piperazinones THE DOW CHEMICAL COMPANY (US) 1988-11-08 US disclosed
US-4767860-A Preparation of N-substituted piperazinones THE DOW CHEMICAL COMPANY (US) 1988-08-30 US disclosed