SCHEMBL8518749

SCHEMBL8518749

CCCCN1CCC(C(=O)OC)C1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 7/20 0.50
LTA4H P09960 1/20 0.49
THRA P10827 1/20 0.48
THRB P10828 1/20 0.48
GAA P10253 1/20 0.44
KCNH2 Q12809 1/20 0.43
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
DRD1 P21728 1/20 0.43
DRD4 P21917 1/20 0.43
DRD5 P21918 1/20 0.43
DRD3 P35462 1/20 0.43
BRD4 O60885 1/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GNAI3 P08754 1/20 0.42
GNAO1 P09471 1/20 0.42
GNAI1 P63096 1/20 0.42

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
SCHEMBL19637430 0.91 LTA4H (0.54) BCHELTA4HTHRATHRBGAA
SCHEMBL13472645 0.90 THRA (0.56) BCHETHRATHRBGAAKCNH2
SCHEMBL13146450 0.90 LTA4H (0.51) BCHELTA4HTHRATHRBGAA
SCHEMBL9921239 0.86 LTA4H (0.51) BCHELTA4HTHRATHRBGAA
SCHEMBL28953619 0.86 LTA4H (0.48) BCHELTA4HTHRATHRBGAA
SCHEMBL3277644 0.83 LTA4H (0.51) LTA4HTHRATHRBGAABRD4
SCHEMBL18914467 0.83 LTA4H (0.46) BCHELTA4HTHRATHRBGAA
SCHEMBL23375191 0.83 SMN1; SMN2 (0.52) LTA4HTHRATHRBGAATP53
SCHEMBL16556615 0.83 SMN1; SMN2 (0.52) LTA4HTHRATHRBGAATP53
SCHEMBL22675502 0.83 SMN1; SMN2 (0.52) LTA4HTHRATHRBGAATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0748310-B1 DIESTERS OF CARBONIC ACID ENDOWED WITH ANTIVIRAL AND ANTI-INFLAMMATORY ACTIVITY ITALFARMACO SPA (IT) 1999-06-02 EP disclosed
US-5827881-A ADMINISTERING FOR TREATMENT OF VIRAL DISEASES OR AS ANTIINFLAMMATORY AGENTS ITALFARMACO S.P.A. (IT) 1998-10-27 US disclosed