SCHEMBL7066274

SCHEMBL7066274

CCCCCCCCCCCCOc1cccc[n+]1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.43
ALDH1A1 P00352 2/20 0.41
APAF1 O14727 1/20 0.41
RAD52 P43351 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.41
NR5A1 Q13285 1/20 0.41
MEN1 O00255 1/20 0.41
NR1I2 O75469 1/20 0.41
CHRM2 P08172 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADRA2A P08913 1/20 0.41
MAPT P10636 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR2B P41595 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
FAAH O00519 1/20 0.40

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
SCHEMBL13265051 0.93 LTA4H (0.44) LTA4HTSHR
SCHEMBL10266294 0.79 HDAC8 (0.41) LTA4HALDH1A1NPSR1TSHRMAPT
Iodide SCHEMBL28830448 0.76 HDAC8 (0.39) LTA4HALDH1A1NPSR1TSHRMAPT
Iodide SCHEMBL28830447 0.74 GAA (0.40) LTA4HALDH1A1TSHRMEN1MAPT
SCHEMBL15167603 0.74 TSHR (0.46) LTA4HALDH1A1LMNATSHRNR5A1
SCHEMBL11111644 0.72 LTA4H (0.38) LTA4HALDH1A1RAD52NPSR1LMNA
SCHEMBL4748895 0.70 L3MBTL1 (0.44) LMNATSHRMAPTSLC6A3HDAC6
SCHEMBL28905757 0.70 KCNH2 (0.63)
SCHEMBL5288629 0.70 KCNH2 (0.63)
SCHEMBL2563319 0.70 KCNH2 (0.63)

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
EP-2492307-B1 Rubber composition and pneumatic tire GOODYEAR TIRE & RUBBER (US) 2014-07-02 EP claimed
EP-1075966-B1 Tire with apex rubber blend GOODYEAR TIRE & RUBBER (US) 2003-05-28 EP claimed
EP-0826726-B1 A rubber compound containing aminobenzylamine GOODYEAR TIRE & RUBBER (US) 2001-10-24 EP claimed