SCHEMBL8488019

SCHEMBL8488019

COc1ccc(CCNC(=O)C(C(=O)O)C(C)(C)C)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA9 Q16790 1/20 0.59
ALDH1A1 P00352 5/20 0.57
LMNA P02545 1/20 0.57
MAPT P10636 2/20 0.56
KMT2A Q03164 5/20 0.55
MEN1 O00255 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
HPGD P15428 1/20 0.55
ALOX12 P18054 1/20 0.55
HTT P42858 1/20 0.54

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
SCHEMBL7654597 0.94 CA12 (0.63) CA12CA1CA2CA9ALDH1A1
SCHEMBL3345207 0.81 CA12 (0.68) CA12CA1CA2CA9ALDH1A1
SCHEMBL8635713 0.81 LMNA (0.53) CA12CA1CA2CA9ALDH1A1
SCHEMBL901614 0.80 CA12 (0.73) CA12CA1CA2CA9ALDH1A1
SCHEMBL6955675 0.80 LMNA (0.62) CA12CA1CA2CA9ALDH1A1
SCHEMBL8378142 0.80 LMNA (0.62) CA12CA1CA2CA9ALDH1A1
SCHEMBL6955671 0.80 LMNA (0.62) CA12CA1CA2CA9ALDH1A1
SCHEMBL23417613 0.79 CA12 (0.64) CA12CA1CA2CA9ALDH1A1
SCHEMBL21923314 0.79 CA12 (0.57) CA12CA1CA2CA9ALDH1A1
SCHEMBL8428854 0.79 ALDH1A1 (0.61) CA12CA1CA2CA9ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5925650-A PROTECTION AGAINST STROKE IN MAMMALS BOEHRINGER INGELHEIM KG (DE) 1999-07-20 US disclosed
US-5837712-A PREVENTION OF STROKE BOEHRINGER INGELHEIM KG (DE) 1998-11-17 US disclosed