SCHEMBL28384550

SCHEMBL28384550

CC(C)C(C)(O)C(=O)Oc1ccc(O)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 15/20 0.56
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ XBP1 P17861 1/20 0.39
▸ BCHE P06276 1/20 0.38
▸ CHRM2 P08172 1/20 0.38

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
SCHEMBL11991241 0.85 ELANE (0.56) ELANEKDM4EMEN1KMT2ACA12
SCHEMBL12338588 0.81 ELANE (0.53) ELANEKDM4EMEN1KMT2ACA12
SCHEMBL8403640 0.79 ELANE (0.81) ELANEKDM4EMEN1KMT2A
SCHEMBL25900770 0.79 ELANE (0.50) ELANEKDM4EMEN1KMT2ABCHE
SCHEMBL12339025 0.78 ELANE (0.61) ELANEKDM4EMEN1KMT2AGAA
SCHEMBL19954364 0.78 ELANE (0.49) ELANEKDM4EMEN1KMT2ABCHE
SCHEMBL24262291 0.77 ELANE (0.51) ELANEKDM4EMEN1KMT2ACA12
SCHEMBL24262254 0.77 ELANE (0.51) ELANEKDM4EMEN1KMT2ACA12
SCHEMBL23220777 0.76 ELANE (0.59) ELANEKDM4EMEN1KMT2A
SCHEMBL20345309 0.76 ELANE (0.59) ELANEKDM4EMEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106636293-B Chiral resolution method of hydroxy acid ester 江南大学 2020-04-17 — — CN disclosed
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