SCHEMBL28296892

SCHEMBL28296892

CCCCCN=C1CCC(=O)N1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
NPSR1 Q6W5P4 1/20 0.36
CRBN Q96SW2 1/20 0.36
FAAH O00519 1/20 0.35
MGLL Q99685 1/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 1/20 0.34
THRB P10828 1/20 0.34
CYP19A1 P11511 12/20 0.33
ALOX5 P09917 2/20 0.33

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
Succinimide SCHEMBL7039031 0.77 CRBN (0.61) KDM4ELMNACRBNALDH1A1CYP19A1
Succinimide SCHEMBL27423831 0.77 CRBN (0.61) KDM4ELMNACRBNALDH1A1CYP19A1
Hexadecane SCHEMBL28112342 0.75 CRBN (0.58) KDM4ELMNACRBNALDH1A1THRB
Dodecane SCHEMBL27509294 0.75 CRBN (0.58) KDM4ELMNACRBNALDH1A1THRB
SCHEMBL19582927 0.75 LMNA (0.47) KDM4ELMNANPSR1FAAHMGLL
Succinimide SCHEMBL27884254 0.74 CRBN (0.50) KDM4ELMNACRBNALDH1A1CYP19A1
SCHEMBL16178828 0.74 KDM4E (0.71) KDM4ELMNANPSR1FAAHMGLL
Succinimide SCHEMBL4639601 0.73 CRBN (0.61) KDM4ELMNACRBNCYP19A1ALOX5
Tetrabuthylammonium SCHEMBL2230716 0.68 SLC22A1 (0.52) CRBNALDH1A1ALOX5
Succinimide SCHEMBL18205015 0.68 DNM1 (0.50) CRBNALDH1A1CYP19A1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109879888-A A kind of Fu Ruide carbazole alkali Class A compound and preparation method thereof and application 贵州省中国科学院天然产物化学重点实验室(贵州医科大学天然产物化学重点实验室) 2019-06-14 CN claimed
CN-109796461-A A kind of preparation process of Tadalafei impurity I 杭州康本医药科技有限公司 2019-05-24 CN claimed
CN-107365239-B A kind of synthetic method of arylalkyne halogen 华中农业大学 2019-08-23 CN disclosed
CN-109879888-A A kind of Fu Ruide carbazole alkali Class A compound and preparation method thereof and application 贵州省中国科学院天然产物化学重点实验室(贵州医科大学天然产物化学重点实验室) 2019-06-14 CN disclosed