SCHEMBL8574641

SCHEMBL8574641

CCCCOC[C@H]1CCCN(C(=O)O)C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.43
POLB P06746 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.39
USP2 O75604 1/20 0.39
ALOX15 P16050 1/20 0.39
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP4F2 P78329 2/20 0.37
CYP4A11 Q02928 2/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GRM3 Q14832 3/20 0.37

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
SCHEMBL5233789 0.88 POLB (0.40) POLBKMT2ANPC1RAB9AALDH1A1
SCHEMBL4434030 0.86 ALDH1A1 (0.43) PDK1POLBMEN1KMT2AMAPT
SCHEMBL8574578 0.82 MEN1 (0.48) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL7289702 0.82 ALDH1A1 (0.42) POLBNPC1RAB9AALDH1A1HPGD
SCHEMBL22319904 0.82 PDK1 (0.37) PDK1POLBMEN1KMT2ANPC1
SCHEMBL22366358 0.82 PDK1 (0.37) PDK1POLBMEN1KMT2ANPC1
SCHEMBL3655590 0.81 POLB (0.44) POLBKMT2ANPC1RAB9AALDH1A1
SCHEMBL3778464 0.81 POLB (0.44) POLBKMT2ANPC1RAB9AALDH1A1
SCHEMBL7289057 0.80 PTGIR (0.37) ALDH1A1CYP4F2CYP4A11GRM3
SCHEMBL5659807 0.80 LSS (0.48) POLBMEN1KMT2AMAPTHPGD

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
US-5763436-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1998-06-09 US disclosed