SCHEMBL9800779

SCHEMBL9800779

C=CCN1C(=O)C(C(C)CCC)C(=O)NC1=S

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MAPT P10636 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CNR1 P21554 2/20 0.34
CYP3A4 P08684 2/20 0.33
MMP9 P14780 1/20 0.33
NR1I2 O75469 1/20 0.33
LMNA P02545 2/20 0.33
GAA P10253 1/20 0.32
ALDH1A1 P00352 6/20 0.32
POLB P06746 3/20 0.32
PKM P14618 2/20 0.32
HPGD P15428 2/20 0.32
TP53 P04637 1/20 0.32
MAPK1 P28482 1/20 0.32
MCL1 Q07820 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 2/20 0.31
GLA P06280 1/20 0.31

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
SCHEMBL8566934 0.74 LMNA (0.32) CYP3A4LMNAALDH1A1KDM4E
SCHEMBL3487989 0.73 ALDH1A1 (0.39) MEN1KMT2AMAPTCNR1CYP3A4
SCHEMBL1263274 0.71 NPSR1 (0.36) MEN1KMT2AMAPTCYP3A4LMNA
SCHEMBL8614546 0.66 ALDH1A1 (0.44) MAPTCYP3A4MMP9LMNAALDH1A1
Albutoin SCHEMBL5053862 0.65 KMT2A (1.00) MEN1KMT2AMAPTL3MBTL1CYP3A4
Albutoin SCHEMBL35488 0.65 KMT2A (1.00) MEN1KMT2AMAPTL3MBTL1CYP3A4
SCHEMBL17294176 0.65 ALDH1A1 (0.43) CYP3A4MMP9LMNAALDH1A1KDM4E
SCHEMBL1598182 0.62 ALDH1A1 (0.44) MEN1KMT2AMAPTL3MBTL1CNR1
SCHEMBL12706769 0.62 ALDH1A1 (0.44) MEN1KMT2AMAPTL3MBTL1CNR1
SCHEMBL12706812 0.62 ALDH1A1 (0.44) MEN1KMT2AMAPTL3MBTL1CNR1

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-0414815-A1 BLOOD SUBSTITUTE CRYOMEDICAL SCIENCES, INC. (US) 1991-03-06 EP disclosed
WO-1989010746-A2 BLOOD SUBSTITUTE CRYOMEDICAL SCIENCES INC. (US) 1989-11-16 WO disclosed