SCHEMBL17676341

SCHEMBL17676341

CCCCCCCCc1ccsc1-c1nc2sc(-c3sccc3CC(CCCCCC)CCCCCCCC)nc2s1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.31
PTGS2 P35354 1/20 0.31
GPR35 Q9HC97 1/20 0.30
HTR2A P28223 1/20 0.30
LTB4R Q15722 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
SCHEMBL15400120 0.95 LMNA (0.31)
SCHEMBL15400588 0.90 KCNH2 (0.38) KCNH2PTGS2GPR35HTR2A
SCHEMBL10301449 0.90 KCNH2 (0.38) KCNH2PTGS2GPR35HTR2A
SCHEMBL371994 0.90 KCNH2 (0.38) KCNH2PTGS2GPR35HTR2A
SCHEMBL586546 0.90 KCNH2 (0.38) KCNH2PTGS2GPR35HTR2A
SCHEMBL12667471 0.85 TSHR (0.37)
SCHEMBL12921570 0.79 KCNH2 (0.36) KCNH2PTGS2GPR35
SCHEMBL1869994 0.79 CYP3A4 (0.32) KCNH2PTGS2GPR35
SCHEMBL2310579 0.79 CYP3A4 (0.32) KCNH2PTGS2GPR35
SCHEMBL17676335 0.79 HTR2A (0.32) HTR2A

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-9312491-B2 Polymer and photoelectric conversion element JX NIPPON OIL & ENERGY CORPORATION (JP) 2016-04-12 US disclosed