SCHEMBL21268401

SCHEMBL21268401

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.44
▸ KDM1A O60341 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ STS P08842 1/20 0.32
▸ PSEN1 P49768 1/20 0.32
▸ PSEN2 P49810 1/20 0.32
▸ APH1B Q8WW43 1/20 0.32
▸ NCSTN Q92542 1/20 0.32
▸ APH1A Q96BI3 1/20 0.32
▸ PSENEN Q9NZ42 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ ATM Q13315 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.31
▸ PRSS1 P07477 1/20 0.31
▸ ACR P10323 1/20 0.31
▸ RXRA P19793 3/20 0.31
▸ NR1H2 P55055 3/20 0.31
▸ NR1H3 Q13133 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ USP2 O75604 1/20 0.31

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
SCHEMBL21268259 0.88 ELANE (0.46) ELANEKDM1ACA2MAPT
SCHEMBL21268207 0.85 ELANE (0.53) ELANEKDM1ACA2
SCHEMBL21268361 0.83 ELANE (0.47) ELANEKDM1ACA2LMNA
SCHEMBL21268324 0.82 ELANE (0.42) ELANEKDM1ACA2PSEN1PSEN2
SCHEMBL21268405 0.82 ELANE (0.44) ELANEKDM1ACA2
SCHEMBL21268211 0.81 ELANE (0.46) ELANEKDM1ACA2
SCHEMBL21268164 0.81 ELANE (0.49) ELANEKDM1ACA2
SCHEMBL16955660 0.81 KDM4E (0.43) ELANEMAPTPRSS1ACRKDM4E
SCHEMBL21268429 0.80 ELANE (0.47) ELANEKDM1ACA2STSMAPT
SCHEMBL21268205 0.80 ELANE (0.51) ELANEKDM1ACA2MAPTKDM4E

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
Send feedback