SCHEMBL7440217

SCHEMBL7440217

Cc1ccc2c(c1)OC(C(O)CN)CO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.46
FFAR1 O14842 1/20 0.39
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
GAA P10253 1/20 0.35
CASP1 P29466 1/20 0.35
HBB P68871 1/20 0.35
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL7445352 0.94 CA2 (0.40) CA2FFAR1LMNAMAPTSMN1; SMN2
SCHEMBL7439944 0.84 KDM4E (0.35) CA2LMNAMAPTSMN1; SMN2NPSR1
SCHEMBL7439821 0.83 CA2 (0.46) CA2FFAR1
SCHEMBL7446515 0.82 MTNR1A (0.48) FFAR1LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL7434736 0.80 LMNA (0.50) CA2LMNAMAPTSMN1; SMN2NPSR1
SCHEMBL11279575 0.80 LMNA (0.50) CA2LMNAMAPTSMN1; SMN2NPSR1
SCHEMBL11055545 0.80 LMNA (0.50) CA2LMNAMAPTSMN1; SMN2NPSR1
SCHEMBL11055550 0.80 LMNA (0.50) CA2LMNAMAPTSMN1; SMN2NPSR1
Hydrochloric Acid SCHEMBL7437739 0.79 LMNA (0.49) CA2LMNAMAPTSMN1; SMN2NPSR1
SCHEMBL7444229 0.78 CA2 (0.39) CA2FFAR1LMNAMAPTSMN1; SMN2

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