SCHEMBL21268428

SCHEMBL21268428

CC(C)Oc1c[c]cc(OC(=O)OC(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.44
▸ CA2 P00918 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ KDM1A O60341 1/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ PARP10 Q53GL7 1/20 0.33
▸ POLB P06746 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ RXRA P19793 1/20 0.31
▸ RXRB P28702 1/20 0.31
▸ GLA P06280 2/20 0.30
▸ KDM4E B2RXH2 2/20 0.30
▸ GAA P10253 2/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ NSD2 O96028 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ TP53 P04637 1/20 0.30

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
SCHEMBL21268207 0.89 ELANE (0.53) ELANECA2KDM1A
SCHEMBL21268239 0.87 ELANE (0.43) ELANECA2KDM1AKDM4EMAPT
SCHEMBL21268199 0.83 ELANE (0.47) ELANECA2ALDH1A1KDM1AKDM4E
SCHEMBL21268205 0.83 ELANE (0.51) ELANECA2KDM1AKMT2APOLB
SCHEMBL21268181 0.82 ELANE (0.44) ELANECA2ALDH1A1KDM1AMAPT
SCHEMBL21268164 0.81 ELANE (0.49) ELANECA2KDM1A
SCHEMBL21268442 0.80 ELANE (0.45) ELANECA2KDM1AKMT2APARP10
SCHEMBL21268361 0.80 ELANE (0.47) ELANECA2KDM1ALMNA
SCHEMBL21268429 0.80 ELANE (0.47) ELANECA2KDM1AKMT2AMAPT
SCHEMBL16955344 0.79 LMNA (0.41) CA2ALDH1A1KMT2APARP10POLB

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
EP-2900645-B1 HERBICIDAL AND FUNGICIDAL 3-PHENYLISOXAZOLIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2019-08-21 — — EP disclosed
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