SCHEMBL9516906

SCHEMBL9516906

CC(C)C(C)NC(=O)C=CC=C[C@@H]1[C@@H](c2ccc(Cl)c(Cl)c2)C1(C)C

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 4/20 0.34
NOS3 P29474 2/20 0.34
NOS1 P29475 2/20 0.34
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HTT P42858 1/20 0.32
FFAR1 O14842 1/20 0.31
SLC6A3 Q01959 4/20 0.30
SLC6A4 P31645 3/20 0.30
SLC6A2 P23975 2/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL9516910 1.00 NOS2 (0.34) NOS2NOS3NOS1NPSR1ALDH1A1
SCHEMBL9580434 1.00 NOS2 (0.34) NOS2NOS3NOS1NPSR1ALDH1A1
SCHEMBL9580450 1.00 NOS2 (0.34) NOS2NOS3NOS1NPSR1ALDH1A1
SCHEMBL9580480 0.81 NOS2 (0.34) NOS2NOS3NOS1ALDH1A1LMNA
SCHEMBL9580540 0.80 NOS2 (0.33) NOS2NOS3NOS1ALDH1A1LMNA
SCHEMBL9515671 0.78 NPSR1 (0.39) NPSR1ALDH1A1LMNASMN1; SMN2HTT
SCHEMBL9515681 0.78 NPSR1 (0.39) NPSR1ALDH1A1LMNASMN1; SMN2HTT
SCHEMBL9580485 0.78 NPSR1 (0.39) NPSR1ALDH1A1LMNASMN1; SMN2HTT
SCHEMBL9515725 0.77 NOS2 (0.36) NOS2NOS3NOS1NPSR1SLC6A3
SCHEMBL27412837 0.77 NOS2 (0.36) NOS2NOS3NOS1NPSR1SLC6A3

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-0369762-B1 Pesticides ROUSSEL UCLAF (FR) 1993-12-29 EP disclosed
US-5202356-A Insecticides, miticides THE WELLCOME FOUNDATION LIMITED (GB) 1993-04-13 US disclosed
EP-0369762-A1 Pesticides ROUSSEL-UCLAF (FR) 1990-05-23 EP disclosed