SCHEMBL16961243

SCHEMBL16961243

C=[C]c1cccc(OCC(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRIM24 O15164 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ KAT6A Q92794 2/20 0.41
▸ NR1H4 Q96RI1 2/20 0.41
▸ SIRT2 Q8IXJ6 1/20 0.40
▸ MAPT P10636 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ XBP1 P17861 1/20 0.40
▸ MAOA P21397 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ FOS P01100 1/20 0.38
▸ JUN P05412 1/20 0.38
▸ MTNR1A P48039 2/20 0.37
▸ MTNR1B P49286 2/20 0.37
▸ ADRB2 P07550 1/20 0.37
▸ ADRB1 P08588 1/20 0.37

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
SCHEMBL6210559 0.83 TRIM24 (0.46) TRIM24LMNAKAT6ANR1H4SIRT2
SCHEMBL30266353 0.83 NR1H4 (0.46) TRIM24KAT6ANR1H4
SCHEMBL2967940 0.81 TRIM24 (0.55) TRIM24LMNAKAT6ANR1H4SIRT2
SCHEMBL694324 0.80 TP53 (0.53) LMNAMAPTHPGDTSHRMAPK1
SCHEMBL16953600 0.77 KMT2A (0.50) KAT6ANR1H4MAPTHPGDTSHR
SCHEMBL6413206 0.77 TRIM24 (0.46) TRIM24LMNAKAT6ANR1H4SIRT2
SCHEMBL16954545 0.77 ACACB (0.45) KAT6AMEN1KMT2A
SCHEMBL16953412 0.76 LTA4H (0.53) TSHRKMT2A
SCHEMBL16955171 0.76 HPGD (0.42) MAPTPOLBHPGDXBP1MAOA
SCHEMBL16957855 0.76 MAPK1 (0.43) LMNAPOLBMAPK1MEN1KMT2A

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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