SCHEMBL11150893

SCHEMBL11150893

CC(=O)CCC1CCC2=CC(=O)CCC2C1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 4/20 0.35
SERPINA6 P08185 1/20 0.33
MMP2 P08253 1/20 0.32
PGR P06401 1/20 0.31

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
SCHEMBL5684775 0.82 TLR4 (0.47) TLR4PGR
SCHEMBL11062755 0.77 CYP1A2 (0.38) TLR4
SCHEMBL296381 0.76 TLR4 (0.35) TLR4
SCHEMBL19257857 0.70 CYP2C19 (0.40) SERPINA6MMP2PGR
SCHEMBL18175548 0.70 CYP2C19 (0.40) SERPINA6MMP2PGR
SCHEMBL10975419 0.70
SCHEMBL9924735 0.70 TLR4 (0.42) TLR4SERPINA6MMP2PGR
SCHEMBL6458057 0.69 TLR4 (0.56) TLR4
SCHEMBL6458053 0.69 TLR4 (0.56) TLR4
SCHEMBL6453405 0.68 TLR4 (0.64) TLR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0021587-B1 SUBSTITUTED DECALINS, THEIR PREPARATION AND USE BEECHAM GROUP PLC (GB) 1983-03-02 EP claimed
US-4303674-A TOPICAL ANTIINFLAMMATORY AGENTS BEECHAM GROUP LIMITED (GB) 1981-12-01 US claimed
EP-0021587-A1 Substituted decalins, their preparation and use BEECHAM GROUP PLC (GB) 1981-01-07 EP claimed
EP-0021587-B1 SUBSTITUTED DECALINS, THEIR PREPARATION AND USE BEECHAM GROUP PLC (GB) 1983-03-02 EP disclosed
US-4303674-A TOPICAL ANTIINFLAMMATORY AGENTS BEECHAM GROUP LIMITED (GB) 1981-12-01 US disclosed
EP-0021587-A1 Substituted decalins, their preparation and use BEECHAM GROUP PLC (GB) 1981-01-07 EP disclosed