SCHEMBL10560583

SCHEMBL10560583

CCOC(=O)n1c(C)c(C)c(=O)c2c(C)ccnc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.35
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ FAAH O00519 1/20 0.34
▸ MGLL Q99685 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ELANE P08246 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ NOS3 P29474 1/20 0.32
▸ NOS1 P29475 1/20 0.32
▸ NOS2 P35228 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ TNF P01375 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ PDE1A P54750 1/20 0.32
▸ PDE1B Q01064 1/20 0.32
▸ PDE3B Q13370 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
SCHEMBL28560116 0.71 LIMK1 (0.43) NTRK1L3MBTL1NOS3NOS2
SCHEMBL2247787 0.63 DAO (0.54) ADORA3MEN1KMT2AFAAHMGLL
SCHEMBL10768056 0.63 KDM4E (0.40) ADORA3MEN1KMT2ALMNAL3MBTL1
SCHEMBL10990597 0.61 HPGD (0.48) MEN1KMT2ALMNAL3MBTL1ALDH1A1
SCHEMBL11800949 0.60 L3MBTL1 (0.46) MEN1KMT2ALMNAL3MBTL1ALDH1A1
SCHEMBL7613930 0.60 ALDH1A1 (0.38) ADORA3MEN1KMT2ALMNAL3MBTL1
SCHEMBL306569 0.59 CA12 (0.50) ADORA3LMNAL3MBTL1ALDH1A1TP53
SCHEMBL2113012 0.59 CA12 (0.55) LMNAL3MBTL1ALDH1A1GAA
SCHEMBL31347076 0.58 ALDH1A1 (0.49) MEN1KMT2ALMNAELANEALDH1A1
Ethyl Bromo Acetate SCHEMBL18825534 0.58 ALDH1A1 (0.53) MEN1KMT2ALMNAALDH1A1TP53

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
US-RE32975-E FUNGICIDES, BACTERICIDES, FEED ADDITIVES BAYER AKTIENGESELLSCHAFT (DE) 1989-07-04 — — US disclosed
US-4284629-A ANIMAL GROWTH REGULATORS BAYER AKTIENGESELLSCHAFT (DE) 1981-08-18 — — US disclosed
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