SCHEMBL10700016

SCHEMBL10700016

COCC(C)C(Cl)C(=O)Nc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
ALDH1A1 P00352 5/20 0.51
GAA P10253 2/20 0.51
ATM Q13315 2/20 0.51
LMNA P02545 1/20 0.51
HSP90AA1 P07900 2/20 0.49
GPR55 Q9Y2T6 1/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HPGD P15428 2/20 0.47
HTT P42858 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MME P08473 1/20 0.46
ACE P12821 1/20 0.46
KLK7 P49862 5/20 0.45
ALOX12 P18054 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL5940992 0.80 ALDH1A1 (0.56) MAPTALDH1A1GAAATMLMNA
SCHEMBL10572607 0.79 MAPT (0.62) MAPTALDH1A1GAAATMLMNA
SCHEMBL17548799 0.78 MAPT (0.53) MAPTALDH1A1GAAATMLMNA
SCHEMBL12724392 0.78 ALDH1A1 (0.57) MAPTALDH1A1GAAATMLMNA
SCHEMBL1701248 0.77 MAPT (0.53) MAPTALDH1A1GAAATMLMNA
SCHEMBL17847144 0.75 MAPT (0.54) MAPTALDH1A1GAAATMLMNA
SCHEMBL2516508 0.75 ALDH1A1 (0.67) MAPTALDH1A1GAAATMLMNA
SCHEMBL7168894 0.74 NLRP3 (0.47) MAPTALDH1A1ATMHSP90AA1MEN1
SCHEMBL11301646 0.74 MEN1 (0.54) MAPTALDH1A1GAAATMLMNA
SCHEMBL29245669 0.74 CA12 (0.65) MAPTALDH1A1GAAATMLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1927919-A Novel weed removal mulch film and preparation process thereof ZHANG YANCHUN (CN) 2007-03-14 CN disclosed
EP-0265411-A2 In vitro method to detect allergic reactions to low molecular weight chemicals Monsanto Company (US) 1988-04-27 EP disclosed