SCHEMBL7706404

SCHEMBL7706404

CSc1ncccc1C(=O)CC(=O)OC(=O)C1CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.52
L3MBTL1 Q9Y468 5/20 0.51
KMT2A Q03164 4/20 0.51
ALDH1A1 P00352 3/20 0.51
MEN1 O00255 3/20 0.51
CASP3 P42574 2/20 0.47
SENP8 Q96LD8 2/20 0.47
SENP7 Q9BQF6 2/20 0.47
SENP6 Q9GZR1 2/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 2/20 0.46
HPGD P15428 1/20 0.45
LMNA P02545 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL7708463 0.85 RAB9A (0.55) RAB9AL3MBTL1KMT2AALDH1A1MEN1
SCHEMBL13623626 0.77 L3MBTL1 (0.55) RAB9AL3MBTL1KMT2AALDH1A1MEN1
SCHEMBL3717527 0.71 KMT2A (0.72) RAB9AL3MBTL1KMT2AALDH1A1MEN1
SCHEMBL31339222 0.70 KMT2A (0.64) RAB9AKMT2AMEN1HPGDLMNA
SCHEMBL7706403 0.69 RAB9A (0.49) RAB9AL3MBTL1KMT2AALDH1A1MEN1
SCHEMBL8284968 0.69 KMT2A (0.62) RAB9AL3MBTL1KMT2AALDH1A1MEN1
SCHEMBL355357 0.69 ALDH1A1 (0.59) RAB9AL3MBTL1KMT2AALDH1A1CASP3
SCHEMBL9314355 0.68 KMT2A (0.66) RAB9AKMT2AMEN1HPGDLMNA
SCHEMBL13485305 0.68 HPGD (0.67) RAB9AKMT2AMEN1HPGDTDP1
Hydrochloric Acid SCHEMBL1375604 0.68 ALDH1A1 (0.62) RAB9AL3MBTL1KMT2AALDH1A1CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0588357-B1 Isoxazoles derivatives and their use as herbicides AVENTIS AGRICULTURE LTD (GB) 2002-06-12 EP disclosed
EP-0588357-A1 Isoxazoles derivatives and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1994-03-23 EP disclosed