SCHEMBL16956499

SCHEMBL16956499

CSc1ccc(F)cc1[C](C)CO

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.37
▸ SLC6A2 P23975 4/20 0.35
▸ SLC6A4 P31645 4/20 0.35
▸ ADRA2A P08913 2/20 0.34
▸ ADRA2B P18089 2/20 0.34
▸ ADRA2C P18825 2/20 0.34
▸ ADRA1D P25100 2/20 0.34
▸ ADRA1A P35348 2/20 0.34
▸ ADRA1B P35368 2/20 0.34
▸ DDR1 Q08345 1/20 0.33
▸ CES2 O00748 1/20 0.33
▸ CES1 P23141 1/20 0.33
▸ TRPA1 O75762 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ KEAP1 Q14145 1/20 0.31

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
SCHEMBL16953219 0.81 KEAP1 (0.38) LMNAADRA2AADRA2BADRA2CADRA1D
SCHEMBL16961242 0.79 SLC6A2 (0.37) LMNASLC6A2SLC6A4CES2SLC6A3
SCHEMBL16954957 0.79 HTT (0.39) LMNASLC6A4ADRA2AADRA2BADRA2C
SCHEMBL7494317 0.78 CES2 (0.44) LMNADDR1CES2CES1MEN1
SCHEMBL16954445 0.77 CES2 (0.52) CES2CES1TRPA1MEN1KMT2A
SCHEMBL16959391 0.76 CES2 (0.36) LMNACES2CES1TRPA1MEN1
SCHEMBL16953420 0.74 F2R (0.40) CES2CES1TRPA1MAPTKEAP1
SCHEMBL16959796 0.74 CES2 (0.35) CES2CES1TRPA1KEAP1
SCHEMBL11771246 0.74 KEAP1 (0.53) LMNADDR1CES2CES1MEN1
SCHEMBL16960076 0.74 CES2 (0.35) SLC6A2SLC6A4CES2CES1TRPA1

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
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 — — EP disclosed
Send feedback