SCHEMBL2278307

SCHEMBL2278307

O=C(O)c1ccccc1OCC1CCCO1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 3/20 0.48
PTK2B Q14289 1/20 0.48
HPGD P15428 1/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 2/20 0.47
BRD4 O60885 1/20 0.47
KDM4E B2RXH2 1/20 0.47
SCN9A Q15858 1/20 0.46

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
SCHEMBL4426397 0.88 TSHR (0.50) SMN1; SMN2ALDH1A1MAPTHTTBRD4
SCHEMBL2278312 0.86 MAPT (0.55) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL10626963 0.84 ALDH1A1 (0.58) KMT2ASMN1; SMN2ALDH1A1PTK2BHPGD
SCHEMBL1505058 0.82 PTGER1 (0.57) ALDH1A1HPGDMAPTKDM4ESCN9A
SCHEMBL11649952 0.81 MGLL (0.50) ALDH1A1MAPTHTTKDM4E
SCHEMBL8498172 0.80 ALDH1A1 (0.54) KMT2ASMN1; SMN2ALDH1A1PTK2BHPGD
SCHEMBL11403648 0.80 NPC1 (0.48) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL4433029 0.80 MAPT (0.47) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT
SCHEMBL11399267 0.79 ALDH1A1 (0.60) SMN1; SMN2ALDH1A1HPGDMAPTBRD4
SCHEMBL16861342 0.79 HPGD (0.52) KMT2AMEN1SMN1; SMN2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820594-B2 Pesticide compositions and methods for their use WESTBRIDGE AGRICULTURAL PRODUCTS 2010-10-26 US claimed
US-7741244-B2 Fungicide compositions WESTBRIDGE AGRICULTURAL PRODUCTS 2010-06-22 US claimed
US-20070249699-A1 PESTICIDE COMPOSITIONS AND METHODS FOR THEIR USE WESTBRIDGE AGRICULTURAL PRODUCTS 2007-10-25 US claimed
US-20040266852-A1 Fungicide compositions WESTBRIDGE AGRICULTURAL PRODUCTS 2004-12-30 US claimed
WO-2003059063-A1 FUNGICIDE COMPOSITIONS SUMMERDALE, INC. (US) 2003-07-24 WO claimed
WO-2011083363-A2 BROAD SPECTRUM HERBICIDE AND PLANT REGULATOR COMPOSITIONS EL PERTIGUERO, S.A. (CR) 2011-07-14 WO disclosed
US-7820594-B2 Pesticide compositions and methods for their use WESTBRIDGE AGRICULTURAL PRODUCTS 2010-10-26 US disclosed
US-7741244-B2 Fungicide compositions WESTBRIDGE AGRICULTURAL PRODUCTS 2010-06-22 US disclosed
US-20070249699-A1 PESTICIDE COMPOSITIONS AND METHODS FOR THEIR USE WESTBRIDGE AGRICULTURAL PRODUCTS 2007-10-25 US disclosed
US-20040266852-A1 Fungicide compositions WESTBRIDGE AGRICULTURAL PRODUCTS 2004-12-30 US disclosed
WO-2003059063-A1 FUNGICIDE COMPOSITIONS SUMMERDALE, INC. (US) 2003-07-24 WO disclosed