SCHEMBL7218471

SCHEMBL7218471

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.39
ALDH1A1 P00352 8/20 0.39
LMNA P02545 5/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
NFKB1 P19838 1/20 0.37
CYP2C19 P33261 1/20 0.37
POLB P06746 1/20 0.36
MAPT P10636 3/20 0.36
SCN3A Q9NY46 3/20 0.36
SCN1A P35498 2/20 0.36
SCN2A Q99250 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36

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
SCHEMBL7225138 0.85 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL7219654 0.81 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL7219261 0.81 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL7218518 0.79 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL7218182 0.78 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL307790 0.73 MEN1 (0.62) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL7223109 0.72 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1LMNACYP2C19POLB
SCHEMBL7218270 0.71 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL5528418 0.68 ALDH1A1 (0.66) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL6570220 0.68 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 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-4465502-A Herbicidal N-haloacetyl-2-substituted-6-acylanilines CHEVRON RESEARCH COMPANY (US) 1984-08-14 US disclosed