SCHEMBL16956221

SCHEMBL16956221

C[C](CO)c1cc(OC(C)=O)cc(OC(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
▸ ALDH1A1 P00352 3/20 0.39
▸ POLB P06746 1/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ MEN1 O00255 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ TP53 P04637 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ TTR P02766 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ PARP10 Q53GL7 1/20 0.37
▸ BACE1 P56817 1/20 0.36
▸ HTT P42858 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ PLAU P00749 2/20 0.35

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 0.88 CYP4F2 (0.47) CYP4F2CYP4A11ALDH1A1POLBKMT2A
SCHEMBL16953315 0.83 KMT2A (0.42) ALDH1A1POLBKMT2AMEN1LMNA
SCHEMBL16955368 0.82 KMT2A (0.43) CYP4F2CYP4A11ALDH1A1KMT2AMEN1
SCHEMBL16961473 0.81 CYP4F2 (0.40) CYP4F2CYP4A11ALDH1A1KMT2AMEN1
SCHEMBL16957519 0.81 CYP4F2 (0.61) CYP4F2CYP4A11ALDH1A1POLBKMT2A
SCHEMBL16958977 0.79 KMT2A (0.43) CYP4F2CYP4A11ALDH1A1KMT2AMEN1
SCHEMBL27854600 0.79 SMN1; SMN2 (0.43) ALDH1A1POLBKMT2AMEN1LMNA
SCHEMBL16955155 0.79 CYP4F2 (0.44) CYP4F2CYP4A11ALDH1A1POLBKMT2A
SCHEMBL16953471 0.79 LMNA (0.47) CYP4F2CYP4A11ALDH1A1KMT2AMEN1
SCHEMBL16952735 0.79 FFAR4 (0.36) ALDH1A1POLBKMT2AMEN1PARP10

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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