SCHEMBL2230658

SCHEMBL2230658

CCCOCCCC(C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.48
BLM P54132 1/20 0.47
GABRR1 P24046 2/20 0.43
CYP1A2 P05177 1/20 0.43
LTA4H P09960 1/20 0.43
CA1 P00915 2/20 0.39
HSD17B10 Q99714 1/20 0.39
CHRM1 P11229 1/20 0.37
AKR1A1 P14550 1/20 0.37
CHRM3 P20309 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
ADRA1A P35348 1/20 0.37
HRH1 P35367 1/20 0.37
DRD3 P35462 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CA2 P00918 1/20 0.36

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
SCHEMBL6426463 0.92 ACE2 (0.53) ACE2BLMGABRR1CYP1A2LTA4H
SCHEMBL9899968 0.86 ACE2 (0.56) ACE2BLMGABRR1CYP1A2LTA4H
SCHEMBL5827579 0.86 BLM (0.48) ACE2BLMGABRR1CYP1A2LTA4H
SCHEMBL20544057 0.85 TSHR (0.48) ACE2BLMGABRR1CYP1A2LTA4H
SCHEMBL27489070 0.84 ACE2 (0.58) ACE2BLMGABRR1CYP1A2LTA4H
SCHEMBL18270562 0.84 ACE2 (0.53) ACE2BLMGABRR1CYP1A2CA1
SCHEMBL12937772 0.84 ACE2 (0.53) ACE2BLMGABRR1CYP1A2CA1
SCHEMBL6427506 0.84 ACE2 (0.53) ACE2BLMGABRR1CYP1A2CA1
SCHEMBL16468291 0.83 TDP1 (0.39) CYP1A2HSD17B10CHRM1AKR1A1CHRM3
SCHEMBL9730273 0.82 ACE2 (0.56) ACE2BLMGABRR1CYP1A2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346322-A2 LIQUID PYRACLOSTROBIN-CONTAINING CROP PROTECTION FORMULATIONS BASF SE (DE) 2011-07-27 EP disclosed
WO-2010040835-A2 LIQUID PYRACLOSTROBIN-CONTAINING CROP PROTECTION FORMULATIONS BASF SE (DE) 2010-04-15 WO disclosed
US-20050042536-A1 Photosensitive resin composition comprising quinonediazide sulfate ester compound DONGJIN SEMICHEM CO. LTD. (KR) 2005-02-24 US disclosed
WO-2003036388-A1 PHOTOSNESITIVE RESIN COMPOSITION COMPRISING QUINONEDIAZIDE SULFATE ESTER COMPOUND DONGJIN SEMICHEM CO., LTD. (KR) 2003-05-01 WO disclosed