SCHEMBL20197728

SCHEMBL20197728

CCCNC(=O)C[C@H](CC)OC

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.41
BCHE P06276 2/20 0.36
ACHE P22303 1/20 0.36
HPGD P15428 1/20 0.36
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
EPHX1 P07099 2/20 0.34
CNR1 P21554 1/20 0.33
CASP2 P42575 1/20 0.33
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33

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
SCHEMBL22834424 0.78 BIRC2 (0.41) MMP1MMP2MMP3
SCHEMBL24920432 0.78 MAPT (0.33) MCL1
SCHEMBL28744602 0.74 NAAA (0.49) ACHEEPHX1CASP2
SCHEMBL13475438 0.74 MCL1 (0.45) MCL1BCHEACHEMMP1MMP2
SCHEMBL26151157 0.74 MCL1 (0.45) MCL1BCHEACHEMMP1MMP2
SCHEMBL1577892 0.73 SMN1; SMN2 (0.53) MCL1HPGDMMP1MMP2MMP3
SCHEMBL9620366 0.73 TSHR (0.42) MMP1MMP2MEN1KMT2ATSHR
SCHEMBL5907647 0.71 ALDH1A1 (0.48) MCL1BCHEACHEMMP1MMP2
SCHEMBL5986606 0.71 MCL1 (0.47) MCL1MMP1MMP2MMP3MMP9
SCHEMBL13475439 0.71 MCL1 (0.42) MCL1BCHEACHEMMP1MMP2

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
EP-2917195-B9 SPLICEOSTATIN ANALOGS PFIZER (US) 2018-05-30 EP disclosed