SCHEMBL28291895

SCHEMBL28291895

CC(C)(C)OC(=O)NC[C@@H]1CCCCO1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HTT P42858 1/20 0.49
USP2 O75604 1/20 0.49
KMT2A Q03164 4/20 0.48
MEN1 O00255 2/20 0.48
TP53 P04637 1/20 0.48
ALOX12 P18054 1/20 0.48
EPHX1 P07099 1/20 0.47
TSHR P16473 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL11888344 1.00 HPGD (0.49) HPGDSMN1; SMN2HTTUSP2KMT2A
SCHEMBL4911660 0.95 SMN1; SMN2 (0.54) HPGDSMN1; SMN2HTTUSP2KMT2A
SCHEMBL4911658 0.95 SMN1; SMN2 (0.54) HPGDSMN1; SMN2HTTUSP2KMT2A
SCHEMBL25961852 0.95 SMN1; SMN2 (0.54) HPGDSMN1; SMN2HTTUSP2KMT2A
SCHEMBL28662052 0.91 HCRTR2 (0.45) HPGDSMN1; SMN2HTTUSP2KMT2A
SCHEMBL28662054 0.91 HCRTR2 (0.45) HPGDSMN1; SMN2HTTUSP2KMT2A
SCHEMBL22644684 0.82 HCRTR2 (0.38) HPGDSMN1; SMN2USP2KMT2AMEN1
SCHEMBL28458597 0.82 HCRTR2 (0.41) SMN1; SMN2USP2KMT2AMEN1EPHX1
SCHEMBL21607282 0.82 HCRTR2 (0.41) SMN1; SMN2USP2KMT2AMEN1EPHX1
SCHEMBL1066501 0.81 EPHX1 (0.41) HPGDSMN1; SMN2HTTUSP2KMT2A

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-109563103-B Modulators of beta-3 adrenergic receptors for the treatment or prevention of disorders related thereto 艾尼纳制药公司 2022-05-27 CN disclosed
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