SCHEMBL6768709

SCHEMBL6768709

Cc1cc(CCCCCc2ccccc2)sc1CCC(C)(N)CO

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 8/20 0.42
TNNC1 P63316 5/20 0.37
S1PR1 P21453 2/20 0.37
SGPL1 O95470 1/20 0.37
S1PR4 O95977 1/20 0.37
GPR183 P32249 1/20 0.37
CERS2 Q96G23 1/20 0.37
S1PR3 Q99500 1/20 0.37
S1PR5 Q9H228 1/20 0.37
SPHK2 Q9NRA0 1/20 0.34
CYP2D6 P10635 1/20 0.34
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL6769752 1.00 LTB4R (0.42) LTB4RTNNC1S1PR1SGPL1S1PR4
SCHEMBL6767982 0.87 LTB4R (0.39) LTB4RTNNC1S1PR1SGPL1S1PR4
SCHEMBL6774202 0.87 L3MBTL1 (0.39) LTB4R
SCHEMBL6775391 0.85 S1PR1 (0.38) S1PR1S1PR4S1PR3S1PR5
SCHEMBL386098 0.82 TNNC1 (0.42) LTB4RTNNC1S1PR1SGPL1S1PR4
SCHEMBL6309871 0.82 TNNC1 (0.42) LTB4RTNNC1S1PR1SGPL1S1PR4
SCHEMBL13165876 0.81 LTB4R (0.42) LTB4R
SCHEMBL6303133 0.80 TNNC1 (0.40) LTB4RTNNC1S1PR1SGPL1S1PR4
SCHEMBL6767901 0.78 GRM5 (0.39) LTB4R
SCHEMBL7716311 0.77 MAOA (0.47) LTB4RTNNC1S1PR1SGPL1S1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6723745-B2 PREVENTION OR TREATMENT OF AUTOIMMUNE DISEASE IN WARM BLOODED ANIMAL SANKYO COMPANY, LIMITED (JP) 2004-04-20 US claimed