SCHEMBL28580478

SCHEMBL28580478

CC(C)(C)OC(=O)N1CC[C@@H](S(=O)(=O)C(F)(F)F)C1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
STS P08842 6/20 0.44
RECQL P46063 1/20 0.43
EPHX1 P07099 1/20 0.43
GPR119 Q8TDV5 3/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL22468372 1.00 HPGD (0.44) HPGDSTSRECQLEPHX1GPR119
SCHEMBL2146006 0.88 HPGD (0.47) HPGDSTSRECQLEPHX1GPR119
SCHEMBL2146010 0.88 HPGD (0.47) HPGDSTSRECQLEPHX1GPR119
SCHEMBL29014961 0.83 RECQL (0.49) HPGDSTSRECQLEPHX1GPR119
SCHEMBL31320024 0.82 RECQL (0.48) HPGDSTSRECQLEPHX1GPR119
SCHEMBL29718457 0.82 HPGD (0.47) HPGDSTSRECQLEPHX1GPR119
SCHEMBL55991 0.82 HPGD (0.47) HPGDSTSRECQLEPHX1GPR119
SCHEMBL57472 0.82 HPGD (0.47) HPGDSTSRECQLEPHX1GPR119
SCHEMBL16362675 0.81 HPGD (0.46) HPGDSTSRECQLEPHX1GPR119
SCHEMBL31023200 0.80 GPR119 (0.51) HPGDSTSRECQLEPHX1GPR119

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-112341464-A Halogen-substituted Latricinib compound 上海健康医学院 2021-02-09 CN disclosed