SCHEMBL8964359

SCHEMBL8964359

CCCCOC(=O)[C@@](C)(N)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
ATM Q13315 1/20 0.42
TSHR P16473 5/20 0.40
HPGD P15428 2/20 0.40
HCAR2 Q8TDS4 1/20 0.38
LMNA P02545 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
PDE4D Q08499 1/20 0.38
NAAA Q02083 1/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL21357721 0.93 NAAA (0.47) ALDH1A1TSHRHCAR2LMNANAAA
SCHEMBL28941579 0.82 ALDH1A1 (0.42) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL6158079 0.81 ALDH1A1 (0.48) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL3412121 0.80 ALDH1A1 (0.52) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL6589761 0.80 MMP8 (0.46) ALDH1A1TSHRHPGDLMNACYP1A2
SCHEMBL27869320 0.80 ALDH1A1 (0.52) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL25094940 0.80 ALDH1A1 (0.40) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL27477160 0.79 ALDH1A1 (0.42) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL17919759 0.79 ALDH1A1 (0.42) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL231255 0.79 ALDH1A1 (0.50) ALDH1A1ATMTSHRHPGDHCAR2

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-0532664-B1 SUPPORTED CHIRAL LIQUID MEMBRANE FOR THE SEPARATION OF ENANTIOMERS RES CORP TECHNOLOGIES INC (US) 1996-02-14 EP disclosed