SCHEMBL16961473

SCHEMBL16961473

C[C](CO)c1cc(OC(C)=O)cc(C(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 2/20 0.40
▸ CYP4A11 Q02928 2/20 0.40
▸ BACE1 P56817 2/20 0.36
▸ CYP19A1 P11511 1/20 0.35
▸ LMNA P02545 4/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ TP53 P04637 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ TTR P02766 1/20 0.34
▸ ELANE P08246 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ FABP3 P05413 1/20 0.32
▸ FABP4 P15090 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ GAA P10253 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
SCHEMBL16959875 0.85 CYP4F2 (0.47) CYP4F2CYP4A11BACE1CYP19A1LMNA
SCHEMBL16957002 0.83 CYP19A1 (0.38) CYP4F2CYP4A11BACE1CYP19A1LMNA
SCHEMBL16955483 0.82 ABCB11 (0.36) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL16956221 0.81 CYP4F2 (0.40) CYP4F2CYP4A11BACE1CYP19A1LMNA
SCHEMBL11421086 0.81 LMNA (0.43) CYP4F2CYP4A11BACE1CYP19A1LMNA
SCHEMBL16954309 0.79 PTGS2 (0.36) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL16953048 0.79 GABRA1 (0.34) KDM4EFABP3FABP4HTT
SCHEMBL16955155 0.79 CYP4F2 (0.44) CYP4F2CYP4A11BACE1LMNAKDM4E
SCHEMBL16955368 0.79 KMT2A (0.43) CYP4F2CYP4A11BACE1LMNAKDM4E
SCHEMBL16953471 0.79 LMNA (0.47) CYP4F2CYP4A11BACE1CYP19A1LMNA

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-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 — — EP disclosed
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