SCHEMBL24441279

SCHEMBL24441279

O=C(O)CCC[C@@H]1C[C@@H](O)CN1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.40
GLB1 P16278 1/20 0.39
LMNA P02545 4/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
TSHR P16473 3/20 0.34
PMP22 Q01453 2/20 0.34
NFKB1 P19838 1/20 0.34
QARS1 P47897 1/20 0.33
TBXA2R P21731 1/20 0.33
PTGFR P43088 1/20 0.33
PTGER2 P43116 1/20 0.33
CAMK2A Q9UQM7 1/20 0.32
HSD17B10 Q99714 2/20 0.32
THRB P10828 2/20 0.32
BLM P54132 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP2C9 P11712 1/20 0.32
MEN1 O00255 1/20 0.32
NR1I2 O75469 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL10369813 1.00 ALOX5 (0.40) ALOX5GLB1LMNASLC22A6TSHR
SCHEMBL13789828 0.89 QARS1 (0.34) ALOX5GLB1LMNAQARS1
SCHEMBL13789766 0.89 QARS1 (0.34) ALOX5GLB1LMNAQARS1
SCHEMBL4416941 0.89 QARS1 (0.34) ALOX5GLB1LMNAQARS1
SCHEMBL4420955 0.89 QARS1 (0.34) ALOX5GLB1LMNAQARS1
SCHEMBL3102769 0.80
SCHEMBL23802775 0.79 LMNA (0.40) ALOX5LMNASLC22A6TSHRPMP22
SCHEMBL23802831 0.79 LMNA (0.40) ALOX5LMNASLC22A6TSHRPMP22
SCHEMBL8512062 0.76 ITGB3 (0.42) LMNATSHRBLMKMT2AMEN1
SCHEMBL31202 0.76 ITGB3 (0.42) LMNATSHRBLMKMT2AMEN1

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
WO-2022104345-A1 1-(2-(4-CYCLOPROPYL-1H-1,2,3-TRIAZOL-1-YL)ACETYL)-4-HYDROXYPYRROLIDINE-2-CARBOXA|MIDE DERIVATIVES AS VHL INHIBITORS FOR THE TREATMENT OF ANEMIA GENENTECH, INC. (US) 2022-05-19 WO disclosed