SCHEMBL16953315

SCHEMBL16953315

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ LMNA P02545 3/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ TP53 P04637 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ TTR P02766 1/20 0.41
▸ PARP10 Q53GL7 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ HTT P42858 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ CYP19A1 P11511 1/20 0.38
▸ F2 P00734 1/20 0.38
▸ PLG P00747 1/20 0.38
▸ PLAU P00749 1/20 0.38

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
SCHEMBL16953510 0.87 LMNA (0.50) KMT2AMEN1LMNACYP3A4TP53
SCHEMBL27854600 0.85 SMN1; SMN2 (0.43) KMT2AMEN1LMNACYP3A4TP53
SCHEMBL16957849 0.84 LMNA (0.40) KMT2AMEN1LMNACYP3A4TP53
SCHEMBL16950528 0.84 LMNA (0.55) KMT2AMEN1LMNACYP3A4TP53
SCHEMBL16956221 0.83 CYP4F2 (0.40) KMT2AMEN1LMNACYP3A4TP53
SCHEMBL16951033 0.82 KMT2A (0.40) KMT2AMEN1LMNACYP3A4TP53
SCHEMBL16950527 0.82 LMNA (0.41) KMT2AMEN1LMNACYP3A4TP53
SCHEMBL16954598 0.79 KMT2A (0.48) KMT2AMEN1LMNACYP3A4TP53
SCHEMBL5743614 0.79 LMNA (0.63) KMT2AMEN1LMNACYP3A4TP53
SCHEMBL16957516 0.79 LMNA (0.50) KMT2AMEN1LMNACYP3A4TP53

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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