SCHEMBL7445352

SCHEMBL7445352

Cc1ccc2c(c1)OCC(C(O)CN)O2

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.40
LMNA P02545 2/20 0.37
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
FFAR1 O14842 1/20 0.35
KMT2A Q03164 1/20 0.34
CHRNB4 P30926 3/20 0.33
CHRNA3 P32297 3/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP19A1 P11511 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
SCHEMBL7440217 0.94 CA2 (0.46) CA2LMNAMAPTSMN1; SMN2NPSR1
SCHEMBL7439944 0.84 KDM4E (0.35) CA2LMNAMAPTSMN1; SMN2NPSR1
SCHEMBL7438907 0.83 CA2 (0.46) CA2LMNAMAPTSMN1; SMN2NPSR1
SCHEMBL7436205 0.83 CA2 (0.46) CA2LMNAMAPTSMN1; SMN2NPSR1
SCHEMBL7436820 0.82 LMNA (0.45) LMNAMAPTSMN1; SMN2FFAR1KMT2A
SCHEMBL7432523 0.82 KMT2A (0.35) LMNAMAPTSMN1; SMN2NPSR1KMT2A
SCHEMBL11055545 0.80 LMNA (0.50) CA2LMNAMAPTSMN1; SMN2NPSR1
SCHEMBL7434736 0.80 LMNA (0.50) CA2LMNAMAPTSMN1; SMN2NPSR1
SCHEMBL11279575 0.80 LMNA (0.50) CA2LMNAMAPTSMN1; SMN2NPSR1
SCHEMBL11055550 0.80 LMNA (0.50) CA2LMNAMAPTSMN1; SMN2NPSR1

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