SCHEMBL7742892

SCHEMBL7742892

CCOC(=O)[CH]CCC(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
GAA P10253 2/20 0.43
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
HCAR2 Q8TDS4 1/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 1/20 0.38
MAPK1 P28482 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
AKT1 P31749 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NR1I2 O75469 1/20 0.36
PGR P06401 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
PTGS2 P35354 1/20 0.36
PDE4D Q08499 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
SCHEMBL9097047 0.89 TSHR (0.50) TSHRGAAMGAMSIMGAM2
SCHEMBL1260685 0.88 CYP1A2 (0.47) TSHRGAAMGAMSIMGAM2
SCHEMBL1258535 0.83 TSHR (0.55) TSHRGAAMGAMSIMGAM2
SCHEMBL8428901 0.79 HCAR2 (0.48) GAAMGAMSIMGAM2HCAR2
SCHEMBL5835931 0.79 MGAM (0.46) TSHRGAAMGAMSIMGAM2
Diethyl Maleate SCHEMBL9094517 0.79 HCAR2 (0.59) TSHRGAAMGAMSIMGAM2
SCHEMBL127082 0.76
Diethyl Maleate SCHEMBL38656508 0.76 HCAR2 (0.55) TSHRGAAMGAMSIMGAM2
SCHEMBL6897755 0.76 NR1I2 (0.56) TSHRGAAMGAMSIMGAM2
SCHEMBL8175606 0.74 HCAR2 (0.53) TSHRGAAMGAMSIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0622361-B1 Heterocyclic compounds as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2001-10-04 EP disclosed
US-6169095-B1 FOR PREVENTION AND/OR TREATMENT OF BRADYKININ OR ITS ANALOGUES MEDIATED DISEASES IN THE EYE, SUCH AS ALLERGY, INFLAMMATION AND PAIN OF THE EYE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-01-02 US disclosed
US-5922711-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, AUTOIMMUNE DISEASES, SHOCK OR ANALGESICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-07-13 US disclosed
US-5708173-A PREPARATION OF SUBSTITUTED QUINOLINE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-01-13 US disclosed
US-5563162-A CAN BE ADMINISTERD FOR THE TREATMENT OF ALLERGY, INFLAMMATION, AUTOIMMUNE DISEASES, SHOCK OR PAIN IN ANIMALS AND HUMANS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-08 US disclosed