SCHEMBL28412969

SCHEMBL28412969

COc1cc2c(c(OC)c1OC)NC(=O)CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.44
TUBB4A P04350 4/20 0.43
TUBB P07437 4/20 0.43
TUBA3C P0DPH7 4/20 0.43
TUBA1B P68363 4/20 0.43
TUBA4A P68366 4/20 0.43
TUBB4B P68371 4/20 0.43
TUBB3 Q13509 4/20 0.43
TUBB2A Q13885 4/20 0.43
TUBB8 Q3ZCM7 4/20 0.43
TUBA3E Q6PEY2 4/20 0.43
TUBA1A Q71U36 4/20 0.43
TUBA1C Q9BQE3 4/20 0.43
TUBB6 Q9BUF5 4/20 0.43
TUBB2B Q9BVA1 4/20 0.43
TUBB1 Q9H4B7 4/20 0.43
ACHE P22303 1/20 0.43
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL14642141 0.77 CYP11B1 (0.41) ACHEL3MBTL1CYP19A1CYP11B1CYP11B2
SCHEMBL11124049 0.75 CA9 (0.42) L3MBTL1CYP19A1CYP11B1CYP11B2
SCHEMBL18497036 0.75 CYP11B1 (0.40) LMNAKMT2AL3MBTL1CYP19A1CYP11B1
SCHEMBL3309703 0.74 CYP11B1 (0.40) CYP19A1CYP11B1CYP11B2
SCHEMBL16339494 0.74 CYP11B1 (0.57) KMT2AL3MBTL1CYP19A1CYP11B1CYP11B2
SCHEMBL24984552 0.73 CYP11B1 (0.39) L3MBTL1CYP19A1CYP11B1CYP11B2
SCHEMBL11123134 0.72 LMNA (0.47) LMNATDP1POLBL3MBTL1CYP19A1
SCHEMBL8920608 0.72 CA12 (0.47) LMNATDP1POLBKMT2AL3MBTL1
SCHEMBL98343 0.71 HTR5A (0.50) KMT2AMEN1CYP19A1CYP11B1CYP11B2
SCHEMBL11120453 0.71 HTT (0.42) ATMACHELMNATDP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111170918-B Method for synthesizing gamma-lactam and delta-lactam through C-H amine 山东大学 2021-09-21 CN disclosed
CN-111170918-A Method for synthesizing gamma-lactam and delta-lactam through C-H amine 山东大学 2020-05-19 CN disclosed