SCHEMBL29249169

SCHEMBL29249169

CCCCC(C)OC(=O)C(O)CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.47
GPR84 Q9NQS5 7/20 0.44
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
ALDH1A1 P00352 1/20 0.39
FFAR1 O14842 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL29249145 0.89 SMN1; SMN2 (0.40) FAAHGPR84CNR1CNR2ALDH1A1
SCHEMBL28305854 0.83 FAAH (0.45) FAAHGPR84CNR1CNR2ALDH1A1
SCHEMBL2229574 0.82 SMN1; SMN2 (0.43) GPR84ALDH1A1SMN1; SMN2
SCHEMBL1242013 0.81 GPR84 (0.43) GPR84FFAR1SMN1; SMN2CA1CA2
SCHEMBL28308619 0.80 GPR84 (0.39) GPR84ALDH1A1FFAR1SMN1; SMN2CA1
SCHEMBL4838991 0.80 FAAH (0.54) FAAHCNR1CNR2ALDH1A1CA1
SCHEMBL29923778 0.80 FAAH (0.54) FAAHCNR1CNR2ALDH1A1CA1
SCHEMBL3223549 0.80 FAAH (0.54) FAAHCNR1CNR2ALDH1A1CA1
SCHEMBL28600254 0.79 FAAH (0.55) FAAHGPR84CNR1CNR2ALDH1A1
SCHEMBL23361766 0.78 GPR84 (0.56) GPR84FFAR1

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 2 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 claimed
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