SCHEMBL8437397

SCHEMBL8437397

CCCC1CCC(C2CCC(C(C)c3ccc(C)cc3)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.34
CYP2C9 P11712 1/20 0.33
FPR2 P25090 1/20 0.32
PROKR1 Q8TCW9 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
SLC6A2 P23975 3/20 0.31
SLC6A3 Q01959 3/20 0.31
SLC6A4 P31645 2/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
CCR5 P51681 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
SCHEMBL9620254 0.88 CCR5 (0.37) TLR4CYP2C9ALDH1A1LMNAMAPT
SCHEMBL8433543 0.87 MAPK1 (0.34) TLR4CYP2C9ALDH1A1LMNAMAPT
SCHEMBL8380860 0.87 FPR2 (0.41) TLR4FPR2PROKR1SLC6A2SLC6A3
SCHEMBL8433409 0.87 SLC6A3 (0.35) TLR4SLC6A3
SCHEMBL7913831 0.86 GAA (0.36) TLR4CYP2C9ALDH1A1HRH3
SCHEMBL8437731 0.85 MAOB (0.38) TLR4CYP2C9ALDH1A1LMNAMAPT
SCHEMBL9751893 0.85 CYP2C9 (0.49) TLR4CYP2C9ALDH1A1LMNAMAPT
SCHEMBL8370943 0.84 PDE2A (0.37) CYP2C9
SCHEMBL8372785 0.83 HRH3 (0.34) HRH3
SCHEMBL8857679 0.83 CCR5 (0.39) CYP2C9ALDH1A1LMNAMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5876626-A HIGH SPEED SWITCHING MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-03-02 US disclosed
EP-0394417-B1 SUPERTWIST LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 1994-10-26 EP disclosed
EP-0394417-A1 SUPERTWIST LIQUID CRYSTAL DISPLAY. MERCK PATENT GMBH (DE) 1990-10-31 EP disclosed