SCHEMBL5217153

SCHEMBL5217153

O=C1CCCC(c2ccccc2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
IGF1R P08069 1/20 0.45
ALOX15 P16050 1/20 0.45
TP53 P04637 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CYP19A1 P11511 2/20 0.40
CTRB1 P17538 1/20 0.40
KMT2A Q03164 3/20 0.38
CFTR P13569 1/20 0.38
GOPC Q9HD26 1/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
HTR2B P41595 1/20 0.38
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 2/20 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
SCHEMBL361599 0.79 DDB1 (0.48) DDB1CRBNIGF1RALOX15TP53
SCHEMBL9149653 0.78 CYP19A1 (0.62) DDB1CRBNIGF1RALOX15TP53
SCHEMBL11577018 0.75 MAPT (0.56) KMT2ALMNACYP1A2MAPTMEN1
SCHEMBL11577013 0.75 MAPT (0.56) KMT2ALMNACYP1A2MAPTMEN1
SCHEMBL3438464 0.75 ALDH1A1 (0.49) DDB1CRBNIGF1RALOX15TP53
SCHEMBL3438466 0.75 ALDH1A1 (0.49) DDB1CRBNIGF1RALOX15TP53
SCHEMBL16179411 0.74 TP53 (0.62) DDB1CRBNIGF1RALOX15TP53
SCHEMBL6762506 0.74 TP53 (0.62) DDB1CRBNIGF1RALOX15TP53
SCHEMBL15874652 0.73 SLC18A3 (0.51) DDB1CRBNIGF1RALOX15TP53
SCHEMBL190786 0.73 SLC18A3 (0.51) DDB1CRBNIGF1RALOX15TP53

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1202978-B1 ISOXAZOLYL- AND ISOXAZOLINYL-SUBSTITUTED BENZOYLCYCLOHEXANEDIONES, PRODUCTION METHOD AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2007-10-31 EP disclosed
EP-1202978-A1 ISOXAZOLYL- AND ISOXAZOLINYL-SUBSTITUTED BENZOYLCYCLOHEXANEDIONES, PRODUCTION METHOD AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS Aventis CropScience GmbH (DE) 2002-05-08 EP disclosed
WO-2001007422-A1 ISOXAZOLYL- AND ISOXAZOLINYL-SUBSTITUTED BENZOYLCYCLOHEXANEDIONES, PRODUCTION METHOD AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS AVENTIS CROPSCIENCE GMBH (DE) 2001-02-01 WO disclosed