SCHEMBL7597801

SCHEMBL7597801

Cc1cc(OCc2ccccc2)[nH]n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.46
BRD4 O60885 2/20 0.46
MAPK1 P28482 2/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
IKBKE Q14164 1/20 0.43
HTT P42858 2/20 0.43
STAT3 P40763 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
MAOB P27338 1/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL18752326 0.86 MPO (0.43) MAPK1NPC1RAB9ASMN1; SMN2MAOB
SCHEMBL4268818 0.81 GABRP (0.44) L3MBTL1BRD4IKBKEHTR2CHTR2B
SCHEMBL4014567 0.79 MPO (0.48) L3MBTL1MAPTRAB9AIKBKESMN1; SMN2
SCHEMBL24934571 0.76 MAOA (0.45) L3MBTL1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3259500 0.72 IKBKE (0.47) L3MBTL1BRD4MAPK1MAPTTDP1
SCHEMBL16540017 0.70 NPC1 (0.52) L3MBTL1MAPK1MAPTTDP1NPC1
SCHEMBL20001038 0.70 L3MBTL1 (0.51) L3MBTL1BRD4MAPK1MAPTTDP1
SCHEMBL27604366 0.70 LMNA (0.47) L3MBTL1BRD4MAPK1MAPTTDP1
SCHEMBL9199134 0.70 MMP2 (0.51) L3MBTL1MAPK1MAPTTDP1NPC1
SCHEMBL15984861 0.69 ALOX5 (0.56) L3MBTL1MAPK1MAPTTDP1NPC1

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
WO-2012150333-A1 USE OF ALS INHIBITOR HERBICIDES FOR CONTROL OF UNWANTED VEGETATION IN ALS INHIBITOR HERBICIDE TOLERANT BRASSICA, SUCH AS B. NAPUS, PLANTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-11-08 WO disclosed
EP-1230221-A1 METHOD FOR PRODUCING N-SUBSTITUTED 2-PYRAZOLINE-5-ONE BASF AKTIENGESELLSCHAFT (DE) 2002-08-14 EP disclosed
WO-2001036389-A1 METHOD FOR PRODUCING N-SUBSTITUTED 2-PYRAZOLINE-5-ONE BASF AKTIENGESELLSCHAFT (DE) 2001-05-25 WO disclosed