SCHEMBL7654597

SCHEMBL7654597

COc1ccc(CCNC(=O)C(C(=O)NCCc2ccc(OC)c(OC)c2)C(C)(C)C)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.63
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63
CA9 Q16790 1/20 0.63
LMNA P02545 1/20 0.60
MAPT P10636 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
KMT2A Q03164 3/20 0.58
ALDH1A1 P00352 4/20 0.57
MEN1 O00255 2/20 0.56
GAA P10253 1/20 0.56
TSHR P16473 1/20 0.56

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
SCHEMBL8488019 0.94 CA12 (0.59) CA12CA1CA2CA9LMNA
SCHEMBL3345207 0.85 CA12 (0.68) CA12CA1CA2CA9LMNA
SCHEMBL8378142 0.83 LMNA (0.62) CA12CA1CA2CA9LMNA
SCHEMBL6955671 0.83 LMNA (0.62) CA12CA1CA2CA9LMNA
SCHEMBL6955675 0.83 LMNA (0.62) CA12CA1CA2CA9LMNA
SCHEMBL23417613 0.82 CA12 (0.64) CA12CA1CA2CA9LMNA
SCHEMBL28357053 0.82 CA12 (0.57) CA12CA1CA2CA9LMNA
SCHEMBL21923314 0.82 CA12 (0.57) CA12CA1CA2CA9LMNA
SCHEMBL10223234 0.82 CA12 (0.68) CA12CA1CA2CA9MAPT
SCHEMBL28353130 0.80 CA12 (0.55) CA12CA1CA2CA9LMNA

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-6465483-B1 TREATING OR PREVENTING STROKES; CHRONIC INFLAMMATORY DISORDERS SUCH AS BRONCHIAL ASTHMA AND ARTHRITIS; ANTIPROLIFERATIVE EFFECT; ULCERATIVE COLITIS AND CROHN'S DISEASE BOEHRINGER INGELHEIM GMBH (DE) 2002-10-15 US disclosed
US-5607943-A CARDIOPROTECTIVE, CEREBROPROTECTIVE, ANTIINFLAMMATORY AGENTS BOEHRINGER INGELHEIM GMBH (DE) 1997-03-04 US disclosed