SCHEMBL11570602

SCHEMBL11570602

COC(C)(CC(=O)NC1CCCCC1)OC

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.59
HPGD P15428 3/20 0.50
EPHX2 P34913 3/20 0.50
EPHX1 P07099 5/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 1/20 0.45
MAPT P10636 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
SCHEMBL9124247 0.82 HPGD (0.56) NPSR1HPGDEPHX2EPHX1KMT2A
SCHEMBL14748208 0.80 HPGD (0.55) NPSR1HPGDEPHX2EPHX1KMT2A
SCHEMBL2625524 0.80 SMN1; SMN2 (0.55) NPSR1HPGDEPHX1KMT2AALDH1A1
SCHEMBL12572628 0.78 SMN1; SMN2 (0.53) NPSR1HPGDEPHX2EPHX1KMT2A
SCHEMBL4958038 0.76 HPGD (0.50) NPSR1HPGDEPHX2EPHX1KMT2A
SCHEMBL5327904 0.76 ALDH1A1 (0.56) NPSR1HPGDEPHX2EPHX1KMT2A
SCHEMBL2625523 0.76 SMN1; SMN2 (0.50) NPSR1HPGDEPHX1KMT2AALDH1A1
SCHEMBL10254229 0.74 NPSR1 (0.67) NPSR1HPGDEPHX2EPHX1KMT2A
SCHEMBL16098964 0.74 HPGD (0.56) NPSR1HPGDEPHX2EPHX1KMT2A
SCHEMBL11603023 0.74 HPGD (0.56) NPSR1HPGDEPHX2EPHX1KMT2A

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
US-4170465-A PRE- AND POST- EMERGENCE HERBICIDES ROUSSEL UCLAF (FR) 1979-10-09 US disclosed