SCHEMBL21268416

SCHEMBL21268416

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.49
▸ KDM1A O60341 1/20 0.35
▸ CA2 P00918 2/20 0.34
▸ MAPT P10636 1/20 0.32
▸ NR4A1 P22736 1/20 0.31
▸ NR4A2 P43354 1/20 0.31
▸ NR4A3 Q92570 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ GFER P55789 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ PLA2G2A P14555 1/20 0.30
▸ AKR1C3 P42330 1/20 0.30
▸ CA1 P00915 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 0.87 ELANE (0.53) ELANEKDM1ACA2
SCHEMBL21268412 0.86 ELANE (0.47) ELANEKDM1ACA2KMT2ACA1
SCHEMBL21268147 0.85 ELANE (0.46) ELANEKDM1ACA2MAPTPOLB
SCHEMBL21268164 0.82 ELANE (0.49) ELANEKDM1ACA2
SCHEMBL21268429 0.81 ELANE (0.47) ELANEKDM1ACA2MAPTMEN1
SCHEMBL21268361 0.81 ELANE (0.47) ELANEKDM1ACA2
SCHEMBL21268199 0.81 ELANE (0.47) ELANEKDM1ACA2AKR1C3CA1
SCHEMBL21268205 0.81 ELANE (0.51) ELANEKDM1ACA2MAPTPOLB
SCHEMBL21268259 0.79 ELANE (0.46) ELANEKDM1ACA2MAPTNPC1
SCHEMBL21268211 0.79 ELANE (0.46) ELANEKDM1ACA2

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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