SCHEMBL2231280

SCHEMBL2231280

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.40
PRKCD Q05655 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
GPR84 Q9NQS5 7/20 0.38
CYP1A2 P05177 3/20 0.33
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPK1 P28482 2/20 0.33
MEN1 O00255 1/20 0.33
GMNN O75496 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
Malic Acid SCHEMBL29249135 0.95 SMN1; SMN2 (0.48) PRKCAPRKCDSMN1; SMN2GPR84CYP1A2
SCHEMBL25182618 0.88 GPR84 (0.50) PRKCAPRKCDGPR84CYP1A2MAPK1
SCHEMBL1242013 0.86 GPR84 (0.43) SMN1; SMN2GPR84CYP1A2MAPK1MEN1
SCHEMBL29924052 0.85 PRKCA (0.44) PRKCAPRKCDGPR84CHRM1AKR1A1
SCHEMBL25275003 0.85 PRKCA (0.44) PRKCAPRKCDGPR84CHRM1AKR1A1
SCHEMBL20398341 0.82 PRKCA (0.40) PRKCAPRKCDGPR84CYP1A2CHRM1
SCHEMBL29249145 0.80 SMN1; SMN2 (0.40) SMN1; SMN2GPR84CHRM1AKR1A1CHRM3
SCHEMBL2229574 0.79 SMN1; SMN2 (0.43) SMN1; SMN2GPR84LMNAMAPTTSHR
SCHEMBL9784116 0.79 GPR84 (0.56) GPR84CYP1A2MAPK1MEN1GMNN
SCHEMBL23361766 0.79 GPR84 (0.56) GPR84CYP1A2MAPK1MEN1GMNN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111201321-B Genetically modified isopropyl malate isomerase enzyme complex and preparation of elongated 2-keto acids and C using same5-C10Method for preparing compounds 陶氏环球技术有限责任公司 2024-07-12 CN disclosed
EP-2343341-B1 POLYORGANOSILOXANE COMPOSITION AND CURED PRODUCT THEREOF UNIV MIE (JP) 2014-08-27 EP disclosed
EP-2636692-A1 CURABLE URETHANE COMPOSITION, CURED PRODUCT THEREOF, KIT AND CURRED PRODUCT PRODUCTION METHOD Mie University (JP) 2013-09-11 EP disclosed
US-8455593-B2 Polyorganosiloxane composition and cured production thereof MIE UNIVERSITY (JP) 2013-06-04 US disclosed
US-20110207864-A1 POLYORGANOSILOXANE COMPOSITION AND CURED PRODUCTION THEREOF MIE UNIVERSITY (JP) 2011-08-25 US disclosed
EP-2343341-A1 POLYORGANOSILOXANE COMPOSITION AND CURED PRODUCT THEREOF Mie University (JP) 2011-07-13 EP disclosed