SCHEMBL7438907

SCHEMBL7438907

NCC(O)C1COc2cc(Cl)ccc2O1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.46
CA1 P00915 1/20 0.46
FFAR1 O14842 9/20 0.39
MAOB P27338 1/20 0.35
CYP2C9 P11712 1/20 0.34
CYP2B6 P20813 1/20 0.34
SLCO1B3 Q9NPD5 1/20 0.34
MAP3K14 Q99558 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
AHR P35869 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL7439821 0.94 CA2 (0.46) CA2CA1FFAR1MAOBCYP2C9
SCHEMBL11357023 0.87 CA2 (0.44) CA2CA1FFAR1MAOBCYP2C9
SCHEMBL7434907 0.84 CA2 (0.43) CA2FFAR1LMNAMAPTSMN1; SMN2
SCHEMBL7445352 0.83 CA2 (0.40) CA2FFAR1LMNAMAPTSMN1; SMN2
SCHEMBL7436205 0.83 CA2 (0.46) CA2FFAR1MAOBLMNAMAPT
SCHEMBL11055550 0.80 LMNA (0.50) CA2CA1LMNAMAPTSMN1; SMN2
SCHEMBL7434736 0.80 LMNA (0.50) CA2CA1LMNAMAPTSMN1; SMN2
SCHEMBL11055545 0.80 LMNA (0.50) CA2CA1LMNAMAPTSMN1; SMN2
SCHEMBL11279575 0.80 LMNA (0.50) CA2CA1LMNAMAPTSMN1; SMN2
SCHEMBL7432523 0.80 KMT2A (0.35) LMNAMAPTSMN1; SMN2NPSR1KDM4E

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-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed