SCHEMBL629384

SCHEMBL629384

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CHRM1 P11229 1/20 0.34
AKR1A1 P14550 1/20 0.34
CHRM3 P20309 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
DRD3 P35462 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GPR84 Q9NQS5 3/20 0.33
CYP3A4 P08684 1/20 0.33
NFKB1 P19838 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
FFAR1 O14842 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
SCHEMBL27844491 0.83 GPR84 (0.44) TSHRCA1CA2TDP1GPR84
SCHEMBL25275003 0.81 PRKCA (0.44) CA1CA2CHRM1AKR1A1CHRM3
SCHEMBL29924052 0.81 PRKCA (0.44) CA1CA2CHRM1AKR1A1CHRM3
SCHEMBL27872215 0.80 CHRM1 (0.36) TSHRCA1CA2CHRM1AKR1A1
SCHEMBL9013592 0.80 CHRM1 (0.36) TSHRCA1CA2CHRM1AKR1A1
SCHEMBL1636137 0.78 HDAC1 (0.34) TSHRCA1CA2CHRM1AKR1A1
SCHEMBL2580544 0.77 GPR84 (0.45) TSHRCA1CA2TDP1GPR84
SCHEMBL31665917 0.77 CHRM1 (0.33) TSHRCA1CA2CHRM1AKR1A1
SCHEMBL8472259 0.77 CHRM1 (0.40) TSHRCA1CA2CHRM1AKR1A1
SCHEMBL28164462 0.76 CTSK (0.45) TSHRCA1CA2TDP1GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4662192-A1 MICROORGANISMS AND METHODS FOR REDUCING BY-PRODUCTS Genomatica, Inc. (US) 2025-12-17 EP disclosed
WO-2024168072-A1 MICROORGANISMS AND METHODS FOR REDUCING BY-PRODUCTS GENOMATICA, INC. (US) 2024-08-15 WO disclosed
EP-2419519-A1 PROCESS FOR THE PREPARATION OF (3R)-HYDR0XYBUTYL (3R) -HYDROXYBUTYRATE BY ENZYMATIC ENANTIOSELECTIVE REDUCTION EMPLOYING LACTOBACILLUS BREVIS ALCOHOL DEHYDROGENASE Isis Innovation Limited (GB) 2012-02-22 EP disclosed