SCHEMBL1300587

SCHEMBL1300587

CCCC(C)CC(=O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
CHRM1 P11229 1/20 0.42
AKR1A1 P14550 1/20 0.42
CHRM3 P20309 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
ADRA1A P35348 1/20 0.42
HRH1 P35367 1/20 0.42
DRD3 P35462 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP3A4 P08684 2/20 0.41
NFKB1 P19838 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ACE2 Q9BYF1 1/20 0.36
CA1 P00915 2/20 0.35
GPR84 Q9NQS5 2/20 0.33
HDAC7 Q8WUI4 1/20 0.33

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
SCHEMBL1300663 0.86 ACE2 (0.47) ACE2CA1GPR84HAO1
SCHEMBL28594144 0.85 ACE2 (0.55) NFKB1ACE2CA1GPR84HAO1
SCHEMBL16114175 0.82 OR51E2 (0.40) TDP1GRIK1
SCHEMBL11326575 0.81 TSHR (0.44) TSHRCHRM1AKR1A1CHRM3HTR2A
SCHEMBL276026 0.80
SCHEMBL1301619 0.80 CA2 (0.36) TSHRTDP1CA1HAO1
SCHEMBL905435 0.80
SCHEMBL7949338 0.80
SCHEMBL2171974 0.80 CA2 (0.36) TSHRTDP1CA1HAO1
Ethane SCHEMBL5187495 0.78 TSHR (0.46) TSHRCHRM1AKR1A1CHRM3HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9023636-B2 Microorganisms and methods for the biosynthesis of propylene GENOMATICA, INC. (US) 2015-05-05 US disclosed
US-8617862-B2 Microorganisms for producing propylene and methods related thereto GENOMATICA, INC. (US) 2013-12-31 US disclosed
EP-2563926-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF PROPYLENE Genomatica, Inc. (US) 2013-03-06 EP disclosed
US-20120329119-A1 MICROORGANISMS FOR PRODUCING PROPYLENE AND METHODS RELATED THERETO GENOMATICA, INC. 2012-12-27 US disclosed
WO-2011137198-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF PROPYLENE GENOMATICA, INC. (US) 2011-11-03 WO disclosed
US-20110269204-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF PROPYLENE AGAIN BIO APS (DK) 2011-11-03 US disclosed
US-4766110-A INHIBITS ANGIOTENSIN CONVERTING ENZYME, HYPOTENSIVE AGENTS RYAN JAMES W (US) 1988-08-23 US disclosed
US-4472380-A CARBOXYALKYL DIPEPTIDE DERIVATIVES MERCK & CO., INC. (US) 1984-09-18 US disclosed
US-4374829-A Aminoacid derivatives as antihypertensives MERCK & CO., INC. (US) 1983-02-22 US disclosed
EP-0012401-A1 Carboxyalkyl dipeptide derivatives, process for preparing them and pharmaceutical composition containing them MERCK & CO. INC. (US) 1980-06-25 EP disclosed