SCHEMBL28290423

SCHEMBL28290423

CC(C)(C)NC(=O)OCC1CCCCO1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
ALDH1A1 P00352 2/20 0.47
CNR2 P34972 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 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
SCHEMBL10290412 0.95 LMNA (0.54) LMNAPOLBALDH1A1CNR2CYP1A2
SCHEMBL28662047 0.91 LMNA (0.42) LMNAPOLBALDH1A1CNR2CYP1A2
SCHEMBL19287583 0.82 LMNA (0.50) LMNAPOLBALDH1A1CNR2CYP1A2
SCHEMBL17242140 0.80 ALDH1A1 (0.49) ALDH1A1CYP1A2MEN1KMT2A
SCHEMBL2905444 0.80 ALDH1A1 (0.49) ALDH1A1CYP1A2MEN1KMT2A
SCHEMBL16294838 0.79 MEN1 (0.33) LMNAPOLBALDH1A1CNR2MEN1
SCHEMBL16294690 0.79 MEN1 (0.33) LMNAPOLBALDH1A1CNR2MEN1
SCHEMBL15135511 0.79 ALDH1A1 (0.60) LMNAPOLBALDH1A1
SCHEMBL16330204 0.78 LMNA (0.43) LMNAPOLBALDH1A1CNR2CYP1A2
SCHEMBL16015420 0.78 LMNA (0.58) LMNAPOLBALDH1A1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109563103-A modulators of beta-3 adrenergic receptors for the treatment or prevention of disorders related thereto 艾尼纳制药公司 2019-04-02 CN disclosed