SCHEMBL7225138

SCHEMBL7225138

Cc1cccc(C2(C)OC(C)C(C)O2)c1NC(=O)CCl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 7/20 0.42
LMNA P02545 5/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
NFKB1 P19838 1/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 1/20 0.39
MAPT P10636 3/20 0.39
SCN3A Q9NY46 3/20 0.39
SCN1A P35498 2/20 0.39
SCN2A Q99250 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39

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
SCHEMBL7219654 0.88 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL7223109 0.86 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1LMNACYP2C19POLB
SCHEMBL7218471 0.85 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL7219261 0.84 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL7218270 0.84 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL7218518 0.83 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL7218182 0.82 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL307790 0.77 MEN1 (0.62) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL5528418 0.71 ALDH1A1 (0.66) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL6570220 0.71 KMT2A (0.56) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A

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 4 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
US-4348222-A Herbicidal N-haloacetyl-2-alkyl-6-acylanilines CHEVRON RESEARCH COMPANY (US) 1982-09-07 US disclosed
US-4244730-A Herbicidal N-haloacetyl-2-alkyl-6-acylanilines CHEVRON RESEARCH COMPANY (US) 1981-01-13 US disclosed