SCHEMBL2232733

SCHEMBL2232733

CCC(O)CCC(C)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.52
CYP1A2 P05177 1/20 0.52
ACE2 Q9BYF1 1/20 0.47
BLM P54132 1/20 0.45
TP53 P04637 1/20 0.41
LTA4H P09960 1/20 0.41
CHRM1 P11229 1/20 0.39
AKR1A1 P14550 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
DRD3 P35462 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA2 P00918 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL130662 1.00 GABRR1 (0.52) GABRR1CYP1A2ACE2BLMTP53
SCHEMBL4268449 0.89 BLM (0.55) GABRR1CYP1A2ACE2BLMLTA4H
SCHEMBL4798774 0.89 ACE2 (0.52) GABRR1CYP1A2ACE2BLMLTA4H
SCHEMBL27595075 0.85 CA1 (0.37) GABRR1CYP1A2ACE2BLMCA2
SCHEMBL30912803 0.81 TSHR (0.44) FFAR4ACACBACACAFFAR1GPR84
SCHEMBL5139179 0.81 GABRR1 (0.72) GABRR1CYP1A2ACE2BLMTP53
SCHEMBL3325557 0.80 NAALAD2 (0.45) GABRR1CYP1A2ACE2BLMTP53
SCHEMBL16600584 0.80 GPR84 (0.52) TP53CHRM1AKR1A1CHRM3HTR2A
SCHEMBL13969782 0.80 NAALAD2 (0.45) GABRR1CYP1A2ACE2BLMTP53
SCHEMBL12463915 0.80 NAALAD2 (0.45) GABRR1CYP1A2ACE2BLMTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2348833-A2 LIQUID AQUEOUS CROP PROTECTION FORMULATIONS BASF SE (DE) 2011-08-03 EP disclosed
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
WO-2010040834-A2 LIQUID AQUEOUS CROP PROTECTION FORMULATIONS BASF SE (DE) 2010-04-15 WO disclosed
US-7425432-B2 Polyhydroxy alkanoate copolymer including within molecule unit having vinyl group or carboxyl group in side chain, and producing method therefor CANON KABUSHIKI KAISHA (JP) 2008-09-16 US disclosed
US-20060211100-A1 Novel polyhydroxy alkanoate copolymer including within molecule unit having vinyl group or carboxyl group in side chain, and producing method therefor CANON KABUSHIKI KAISHA (JP) 2006-09-21 US disclosed
WO-2004044213-A1 NOVEL POLYHYDROXY ALKANOATE COPOLYMER INCLUDING WITHIN MOLECULE UNIT HAVING VINYL GROUP OR CARBOXYL GROUP IN SIDE CHAIN, AND PRODUCING METHOD THEREFOR CANON KABUSHIKI KAISHA (JP) 2004-05-27 WO disclosed