SCHEMBL13477016

SCHEMBL13477016

O=C1CCCc2c1ccn2C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.43
LMNA P02545 4/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
ELANE P08246 3/20 0.40
HTT P42858 2/20 0.39
CSNK2A1 P68400 2/20 0.39
PLK1 P53350 1/20 0.39
PLK3 Q9H4B4 1/20 0.39
BUB1 O43683 1/20 0.38
MEN1 O00255 3/20 0.36
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 3/20 0.36
PABPC1 P11940 1/20 0.36
TSHR P16473 1/20 0.36
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
CYP2A6 P11509 1/20 0.36
PRKCI P41743 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL3445913 0.86 BUB1 (0.60) HPGDLMNAGAASMN1; SMN2ELANE
SCHEMBL1692228 0.78 BUB1 (0.65) HPGDLMNAGAASMN1; SMN2ELANE
SCHEMBL31471645 0.77 NPC1 (0.47) HPGDLMNAGAASMN1; SMN2CSNK2A1
SCHEMBL28762186 0.76 LMNA (0.32) LMNA
SCHEMBL31471536 0.72 CSNK2A1 (0.42) HPGDLMNAGAASMN1; SMN2ELANE
SCHEMBL31471525 0.72 CSNK2A1 (0.42) HPGDLMNAGAASMN1; SMN2ELANE
SCHEMBL1266405 0.72 CSNK2A1 (0.50) HPGDLMNAGAASMN1; SMN2ELANE
SCHEMBL31471533 0.72 CSNK2A1 (0.42) HPGDLMNAGAASMN1; SMN2ELANE
SCHEMBL13397249 0.71 CSNK2A1 (0.42) HPGDLMNAGAASMN1; SMN2ELANE
SCHEMBL17498062 0.71 TP53 (0.39) HPGDLMNAHTTMEN1ALDH1A1

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-2010021149-A1 SPIRO COMPOUND CAPABLE OF INHIBITING ACID SECRETION 武田薬品工業株式会社 (JP) 2010-02-25 WO disclosed