SCHEMBL16952170

SCHEMBL16952170

[CH2]C(CC)c1ccc(OCC)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.48
MAPT P10636 4/20 0.44
RAB9A P51151 2/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 5/20 0.42
KMT2A Q03164 5/20 0.42
ALDH1A1 P00352 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
FAAH O00519 1/20 0.41
ERN1 O75460 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 3/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
MCL1 Q07820 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CSNK2A1 P68400 2/20 0.37
TUBB4A P04350 2/20 0.37
TUBB P07437 2/20 0.37

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
SCHEMBL16957477 0.89 RORC (0.47) RORCMAPTRAB9AATML3MBTL1
SCHEMBL16951446 0.87 RORC (0.46) RORCMAPTRAB9AATML3MBTL1
SCHEMBL16957286 0.87 RORC (0.46) RORCMAPTRAB9AATML3MBTL1
SCHEMBL16956208 0.87 RORC (0.49) RORCMAPTRAB9AATML3MBTL1
SCHEMBL16952243 0.87 RORC (0.46) RORCMAPTRAB9AATML3MBTL1
SCHEMBL16953857 0.86 MAPT (0.44) RORCMAPTRAB9AATML3MBTL1
SCHEMBL16959984 0.85 MAPT (0.45) RORCMAPTRAB9AATML3MBTL1
SCHEMBL16952142 0.84 RORC (0.43) RORCMAPTRAB9AATML3MBTL1
SCHEMBL16952490 0.84 MAPT (0.43) RORCMAPTRAB9AATML3MBTL1
SCHEMBL16953456 0.83 MAPT (0.46) RORCMAPTRAB9AATML3MBTL1

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