SCHEMBL7365418

SCHEMBL7365418

CC(C)CC(NC=O)N1CCOCC1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.34
ADAM17 P78536 1/20 0.34
CTSS P25774 6/20 0.33
CTSK P43235 1/20 0.32
ALDH1A1 P00352 3/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
AIMP2 Q13155 1/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL3929786 0.84 ALDH1A1 (0.38) ALDH1A1KMT2ALMNAMAPTHPGD
SCHEMBL5565559 0.76 SMN1; SMN2 (0.40) ALDH1A1KMT2ALMNAMAPTHPGD
SCHEMBL19057143 0.69 KMT2A (0.41) MMP1ADAM17CTSSALDH1A1KMT2A
SCHEMBL19472816 0.69 KMT2A (0.41) MMP1ADAM17CTSSALDH1A1KMT2A
SCHEMBL11991369 0.68 ALDH1A1 (0.47) ALDH1A1KMT2ALMNANPSR1ADH1B
SCHEMBL15491255 0.66 MMP1 (0.36) MMP1ADAM17CTSSALDH1A1KMT2A
SCHEMBL20746810 0.66 USP2 (0.40) MMP1ADAM17CTSSALDH1A1KMT2A
SCHEMBL11991361 0.66 ALDH1A1 (0.45) ALDH1A1KMT2ALMNAMAPTNPSR1
SCHEMBL5911087 0.65 KMT2A (0.39) ALDH1A1KMT2ALMNAMAPTHPGD
SCHEMBL36573 0.65 MAPT (0.39) ALDH1A1KMT2ALMNAMAPTHPGD

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
EP-0558603-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1993-09-08 EP claimed
WO-1992008688-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO claimed