SCHEMBL4734757

SCHEMBL4734757

CCCOC(=O)C(C#N)CCC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
HCAR2 Q8TDS4 1/20 0.34
ALDH1A1 P00352 4/20 0.33
LMNA P02545 1/20 0.32
CHRM1 P11229 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 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
SCHEMBL28015045 0.98 HDAC1 (0.34) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL9183202 0.86 ALDH1A1 (0.39) HDAC1HDAC2ALDH1A1LMNACHRM1
SCHEMBL23130403 0.84 HCAR2 (0.30) HCAR2
SCHEMBL15477309 0.82 HCAR2 (0.33) HCAR2ALDH1A1LMNACHRM1TDP1
SCHEMBL10526563 0.82 CA1 (0.42) HDAC1HDAC2HDAC7HDAC8HDAC6
SCHEMBL8506925 0.81 ALDH1A1 (0.45) HCAR2ALDH1A1LMNATDP1TSHR
SCHEMBL23130538 0.80 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL8601857 0.80 CHRM1 (0.32) HDAC1HDAC2ALDH1A1CHRM1TDP1
SCHEMBL667295 0.78 ZDHHC7 (0.34) HDAC1HDAC2CHRM1TDP1AKR1A1
SCHEMBL18671974 0.78 LMNA (0.36) HDAC1HDAC2ALDH1A1LMNACHRM1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104649300-B The method of recovery and refining sodium bromide from dipropyl cyanoacetate mixture Xiangzhong Pharmaceutical Co., Ltd., Hunan Prov (CN) 2016-05-04 CN claimed
CN-104649300-A Method for recovering and refining sodium bromide from dipropyl cyanoacetate mixture HUNAN PROVINCE XIANGZHONG PHARMACEUTICAL CO LTD 2015-05-27 CN claimed
US-RE31260-E Process for the preparation of an acetonitrile derivative LABAZ (FR) 1983-05-31 US claimed
US-4155929-A Process for the preparation of an acetonitrile derivative LABAZ (FR) 1979-05-22 US claimed
US-4127604-A Process for the preparation of acetic acid derivatives LABAZ (FR) 1978-11-28 US claimed
JP-56010135-A None JP disclosed
CN-112174169-B Method for recovering potassium chloride from high-salt valproate wastewater 湖南省湘中制药有限公司 2022-01-28 CN disclosed
CN-112174169-A Method for recovering potassium chloride from high-salt valproate wastewater 湖南省湘中制药有限公司 2021-01-05 CN disclosed
CN-111317730-A Administration of gamma hydroxybutyrate with monocarboxylate transporters 杰资制药爱尔兰有限公司 2020-06-23 CN disclosed
CN-104649300-B The method of recovery and refining sodium bromide from dipropyl cyanoacetate mixture Xiangzhong Pharmaceutical Co., Ltd., Hunan Prov (CN) 2016-05-04 CN disclosed
CN-104649300-B The method of recovery and refining sodium bromide from dipropyl cyanoacetate mixture Xiangzhong Pharmaceutical Co., Ltd., Hunan Prov (CN) 2016-05-04 CN disclosed
CN-104649300-B The method of recovery and refining sodium bromide from dipropyl cyanoacetate mixture Xiangzhong Pharmaceutical Co., Ltd., Hunan Prov (CN) 2016-05-04 CN disclosed
US-RE31260-E Process for the preparation of an acetonitrile derivative LABAZ (FR) 1983-05-31 US disclosed
US-RE31260-E Process for the preparation of an acetonitrile derivative LABAZ (FR) 1983-05-31 US disclosed
JP-S5610135-A PREPARATION OF DI-N-PROPYLMALONIC ACID KANEBO LTD 1981-02-02 JP disclosed
US-4155929-A Process for the preparation of an acetonitrile derivative LABAZ (FR) 1979-05-22 US disclosed
US-4155929-A Process for the preparation of an acetonitrile derivative LABAZ (FR) 1979-05-22 US disclosed
US-4127607-A DIPROPYLACETAMIDE BY ACID HYDROLYSIS OF DIPROPYLACETONITRILE WITH SULFURIC ACID LABAZ (FR) 1978-11-28 US disclosed
US-4127604-A Process for the preparation of acetic acid derivatives LABAZ (FR) 1978-11-28 US disclosed
US-4127604-A Process for the preparation of acetic acid derivatives LABAZ (FR) 1978-11-28 US disclosed