SCHEMBL9683141

SCHEMBL9683141

O=C(CCCCC(=O)OCCCl)OCCCl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.54
DNM1 Q05193 1/20 0.44
ADRA2A P08913 1/20 0.41
ADRA1A P35348 1/20 0.41
MAPT P10636 2/20 0.39
BLM P54132 1/20 0.39
PAM P19021 2/20 0.39
CYP1A2 P05177 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
TSHR P16473 4/20 0.36
TDP1 Q9NUW8 2/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
ATM Q13315 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL11815183 0.97 DGKA (0.58) DGKADNM1ADRA2AADRA1AMAPT
SCHEMBL9601098 0.89 ADRA2A (0.50) DGKADNM1ADRA2AADRA1AMAPT
SCHEMBL11785899 0.89 DGKA (0.73) DGKADNM1MAPTPAMPRSS1
SCHEMBL5319219 0.87 DGKA (0.77) DGKADNM1MAPTPAMPRSS1
SCHEMBL28705899 0.87 DGKA (0.77) DGKADNM1MAPTPAMPRSS1
SCHEMBL14760960 0.87 DGKA (0.77) DGKADNM1MAPTPAMPRSS1
SCHEMBL11794989 0.87 DGKA (0.77) DGKADNM1MAPTPAMPRSS1
SCHEMBL9948675 0.87 DGKA (0.77) DGKADNM1MAPTPAMPRSS1
SCHEMBL10430876 0.87 DGKA (0.77) DGKADNM1MAPTPAMPRSS1
SCHEMBL28686429 0.87 DGKA (0.77) DGKADNM1MAPTPAMPRSS1

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
US-4059610-A Process for preparing isocyanic acid derivatives KAO SOAP CO., LTD. (JA) 1977-11-22 US claimed
CN-101611762-B Compound quick-action inhibitor against generation of methane and preparation method and application thereof CHINA AGRICULTURAL UNIVERSITY (CN) 2011-12-28 CN disclosed
CN-101611762-A A kind of compound quick-action inhibitor against generation of methane and its production and use UNIV CHINA AGRICULTURAL 2009-12-30 CN disclosed
US-5147791-A Reacting diester and dialcohol in presence of enzyme catalyst;enantiomorphs UNIVERSITY OF NEW MEXICO (US) 1992-09-15 US disclosed
US-4059610-A Process for preparing isocyanic acid derivatives KAO SOAP CO., LTD. (JA) 1977-11-22 US disclosed
US-3971757-A STABILIZERS FOR POLYMERS CIBA-GEIGY CORPORATION (US) 1976-07-27 US disclosed
US-3966711-A 4-Alkyl-1,4-diaza-5-oxo-cycloheptanes and their 1-oxyls CIBA-GEIGY CORPORATION (US) 1976-06-29 US disclosed