SCHEMBL8986943

SCHEMBL8986943

CCOC(=O)C(C)CCCCOc1cc(-c2ccc3c(c2)OCO3)cc(-c2ccccc2Cl)n1

nearest known ligand 0.83

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 16/20 0.83
SLC6A9 P48067 2/20 0.44
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL9291839 0.91 LTB4R (1.00) LTB4RSLC6A9
SCHEMBL8987034 0.89 LTB4R (0.83) LTB4R
SCHEMBL8987128 0.86 LTB4R (0.82) LTB4R
SCHEMBL8987047 0.80 LTB4R (1.00) LTB4R
SCHEMBL8987009 0.77 LTB4R (1.00) LTB4R
SCHEMBL8987340 0.77 LTB4R (0.81) LTB4R
SCHEMBL8987342 0.76 LTB4R (0.82) LTB4R
SCHEMBL8987321 0.76 LTB4R (0.82) LTB4R
SCHEMBL8987150 0.76 LTB4R (0.79) LTB4R
SCHEMBL8987001 0.75 LTB4R (0.79) LTB4R

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
US-5492915-A ANTIINFLAMMATORY AGENTS RHONE-POULENC RORER S.A. (FR) 1996-02-20 US disclosed
US-5366982-A Antiinflammatory agents or antihistamines RHONE-POULENC RORER S.A. (FR) 1994-11-22 US disclosed