SCHEMBL8835249

SCHEMBL8835249

C=CC=CC1CCC(C2CCC(CCC)CC2)CC1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.32
CYP2C9 P11712 1/20 0.30

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
SCHEMBL8835243 1.00 TLR4 (0.32) TLR4CYP2C9
SCHEMBL8835585 0.88 CYP1A2 (0.36) CYP2C9
SCHEMBL8835583 0.88 CYP1A2 (0.36) CYP2C9
SCHEMBL8835587 0.85
SCHEMBL8835590 0.85
SCHEMBL4376870 0.82 TLR4 (0.35) TLR4CYP2C9
SCHEMBL4376867 0.82 TLR4 (0.35) TLR4CYP2C9
SCHEMBL7774454 0.81 TLR4 (0.35) TLR4CYP2C9
SCHEMBL7774457 0.81 TLR4 (0.35) TLR4CYP2C9
SCHEMBL7774459 0.81 TLR4 (0.35) TLR4CYP2C9

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
US-5662830-A Diene derivative CHISSO CORPORATION (JP) 1997-09-02 US disclosed
US-5609791-A Diene derivative CHISSO CORPORATION (JP) 1997-03-11 US disclosed
EP-0563982-B1 Polycyclic diene derivatives CHISSO CORP (JP) 1996-07-17 EP disclosed
US-5449810-A Diene derivative CHISSO CORPORATION (JP) 1995-09-12 US disclosed
EP-0563982-A2 Polycyclic diene derivatives Chisso Corporation (JP) 1993-10-06 EP disclosed