SCHEMBL185116

SCHEMBL185116

CCCCOC(=O)O[C@@]1(N)CCOC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 5/20 0.37
ATM Q13315 1/20 0.35
ELANE P08246 1/20 0.35
MAPT P10636 3/20 0.34
RAB9A P51151 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TSHR P16473 3/20 0.33
HPGD P15428 1/20 0.33
MMP1 P03956 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
ADAM17 P78536 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 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
SCHEMBL9571891 0.78 SMN1; SMN2 (0.47) LMNASMN1; SMN2POLBALDH1A1ATM
SCHEMBL3774606 0.76 LMNA (0.42) LMNASMN1; SMN2POLBALDH1A1ATM
SCHEMBL3774666 0.76 LMNA (0.42) LMNASMN1; SMN2POLBALDH1A1ATM
SCHEMBL16882299 0.76 LMNA (0.42) LMNASMN1; SMN2POLBALDH1A1ATM
SCHEMBL9571890 0.73 SMN1; SMN2 (0.43) LMNASMN1; SMN2POLBALDH1A1ATM
SCHEMBL2787464 0.72 SMN1; SMN2 (0.41) LMNASMN1; SMN2POLBALDH1A1ATM
SCHEMBL5355515 0.71 LMNA (0.50) LMNASMN1; SMN2POLBALDH1A1ATM
SCHEMBL7073674 0.69 ALDH1A1 (0.41) LMNASMN1; SMN2POLBALDH1A1ATM
Fluoride SCHEMBL29068332 0.69 ALDH1A1 (0.64) LMNASMN1; SMN2POLBALDH1A1ATM
SCHEMBL9571887 0.68 LMNA (0.36) LMNASMN1; SMN2POLBALDH1A1TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2401256-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 EP disclosed
EP-2401256-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP disclosed
WO-2010097372-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 WO disclosed