SCHEMBL7434907

SCHEMBL7434907

NCC(O)C1COc2cc(Cl)c(Cl)cc2O1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.43
FFAR1 O14842 5/20 0.35
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
AKR1B1 P15121 1/20 0.30

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
SCHEMBL7444229 0.90 CA2 (0.39) CA2FFAR1KDM4EALDH1A1GAA
SCHEMBL7439944 0.84 KDM4E (0.35) CA2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7438907 0.84 CA2 (0.46) CA2FFAR1KDM4EALDH1A1GAA
SCHEMBL7439821 0.84 CA2 (0.46) CA2FFAR1
SCHEMBL7436351 0.82 AHR (0.33) KDM4EALDH1A1GAA
SCHEMBL7429632 0.79 KDM4E (0.31) KDM4EALDH1A1GAA
SCHEMBL7436205 0.78 CA2 (0.46) CA2FFAR1LMNAMAPTSMN1; SMN2
SCHEMBL7440217 0.78 CA2 (0.46) CA2FFAR1KDM4EALDH1A1GAA
SCHEMBL7445352 0.78 CA2 (0.40) CA2FFAR1KDM4EALDH1A1HPGD
SCHEMBL11055545 0.78 LMNA (0.50) CA2KDM4EALDH1A1GAALMNA

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