SCHEMBL7225491

SCHEMBL7225491

CCC(CC)(OC)c1cccc(C)c1NC(=O)CCl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 3/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
SCN1A P35498 2/20 0.46
SCN2A Q99250 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
ALOX15 P16050 1/20 0.46
LMNA P02545 4/20 0.45
BLM P54132 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
NLRP3 Q96P20 2/20 0.43
ALDH1A1 P00352 4/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
MC4R P32245 1/20 0.43
SCN4A P35499 1/20 0.43
MC3R P41968 1/20 0.43
HTR3A P46098 1/20 0.43

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
SCHEMBL7217828 0.84 MEN1 (0.47) SCN3AMAPTMEN1KMT2ASCN1A
SCHEMBL7223995 0.84 SMN1; SMN2 (0.46) SCN3AMAPTMEN1KMT2ASCN1A
SCHEMBL7224255 0.82 SCN3A (0.49) SCN3AMAPTMEN1KMT2ASCN1A
SCHEMBL30502814 0.80 NLRP3 (0.56) SCN3AMAPTMEN1KMT2ASCN1A
SCHEMBL5941054 0.80 NLRP3 (0.56) SCN3AMAPTMEN1KMT2ASCN1A
SCHEMBL7225279 0.80 SMN1; SMN2 (0.48) SCN3AMAPTMEN1KMT2ASCN1A
SCHEMBL7223216 0.79 NLRP3 (0.42) SCN3AMAPTMEN1KMT2ASCN1A
SCHEMBL10348347 0.79 PARP1 (0.49) SCN3AMAPTMEN1KMT2ASCN1A
SCHEMBL7219434 0.79 NLRP3 (0.49) SCN3AMAPTMEN1KMT2ASCN1A
SCHEMBL7219192 0.78 SCN3A (0.48) SCN3AMAPTMEN1KMT2ASCN1A

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
US-6521603-B2 Amide, thioamide, amidine and thioester derivatives containing a benzene, pyridine, thiophene, furan, pyrrole, pyrazole, thiazole or isothiazole ring MONSANTO TECHNOLOGY LLC 2003-02-18 US claimed
US-4456471-A PREEMERGENCE HERBICIDE FOR GRASSES CHEVRON RESEARCH COMPANY (US) 1984-06-26 US disclosed