SCHEMBL7223483

SCHEMBL7223483

CC(C)OCc1cccc(C(C)(C)C)c1NC(=O)CCl

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.48
ALDH1A1 P00352 10/20 0.38
LMNA P02545 6/20 0.38
NLRP3 Q96P20 1/20 0.37
CASP3 P42574 1/20 0.36
CASP2 P42575 1/20 0.36
NAMPT P43490 2/20 0.35
HTT P42858 3/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
EGFR P00533 1/20 0.34
JAK2 O60674 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
POLB P06746 2/20 0.33
MITF O75030 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL7217431 0.86 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1LMNANLRP3CASP3
SCHEMBL7223596 0.85 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1LMNANLRP3CASP3
SCHEMBL7225429 0.84 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1LMNANLRP3NAMPT
SCHEMBL7223685 0.83 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1LMNANLRP3CASP3
SCHEMBL7223947 0.83 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1LMNANLRP3HTT
SCHEMBL27261071 0.80 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1LMNANLRP3CASP3
SCHEMBL7219387 0.80 MEN1 (0.43) SMN1; SMN2ALDH1A1LMNANLRP3HTT
SCHEMBL7225295 0.78 SMN1; SMN2 (0.75) SMN1; SMN2LMNANLRP3HTTMAPT
SCHEMBL7223600 0.78 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1LMNANLRP3CASP3
SCHEMBL7223939 0.77 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1LMNANLRP3CASP3

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-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