SCHEMBL28878334

SCHEMBL28878334

CC(C)(C)C(=O)ON1CC[C@@H](C(=O)N2CCCC2)C1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.43
RECQL P46063 1/20 0.41
ALDH1A1 P00352 5/20 0.41
PREP P48147 2/20 0.40
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.37
KDM4E B2RXH2 1/20 0.36
NOTUM Q6P988 1/20 0.36

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
SCHEMBL28310203 0.89 HPGD (0.63) HPGDSMN1; SMN2RECQLALDH1A1PREP
SCHEMBL2146346 0.83 HPGD (0.49) HPGDSMN1; SMN2ALDH1A1TSHRLMNA
SCHEMBL27950765 0.80 HPGD (0.34) HPGDSMN1; SMN2RECQLALDH1A1HSD17B10
SCHEMBL27935423 0.80 HPGD (0.34) HPGDSMN1; SMN2RECQLALDH1A1HSD17B10
SCHEMBL27838575 0.80 HPGD (0.47) HPGDSMN1; SMN2RECQLALDH1A1HTT
SCHEMBL28125892 0.79 SMN1; SMN2 (0.41) HPGDSMN1; SMN2ALDH1A1LMNA
SCHEMBL28298093 0.79 HPGD (0.33) HPGDSMN1; SMN2RECQLLMNA
SCHEMBL27756610 0.78 HTT (0.53) HPGDSMN1; SMN2RECQLALDH1A1HTT
SCHEMBL28309465 0.77 RECQL (0.65) HPGDSMN1; SMN2RECQLALDH1A1HTT
SCHEMBL27980515 0.77 CHRNB2 (0.59) HPGDSMN1; SMN2RECQLALDH1A1HTT

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-110475777-A For treating and preventing new pyrido [2,3-b] benzazolyl compounds of bacterium infection HOFFMANN LA ROCHE 2019-11-19 CN disclosed