SCHEMBL8319196

SCHEMBL8319196

COc1c[c]cc(C(C)=O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
MAPK1 P28482 3/20 0.41
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 3/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 2/20 0.41
NPC1 O15118 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
CYP3A4 P08684 3/20 0.39
HPGD P15428 2/20 0.39
PARP1 P09874 1/20 0.39
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL4316500 0.84 CA1 (0.50) LMNAALDH1A1KMT2ARAB9AMEN1
SCHEMBL4284172 0.82 CA1 (0.52) LMNAMAPK1ALDH1A1KMT2ARAB9A
SCHEMBL2232322 0.82 PARP1 (0.55) MAPK1ALDH1A1KMT2ACES2CES1
SCHEMBL2887729 0.80 CA5A (0.46) LMNAMAPK1ALDH1A1KMT2ARAB9A
SCHEMBL18605246 0.79 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1CES2CES1
SCHEMBL20630743 0.76 LMNA (0.56) LMNAMAPK1ALDH1A1KMT2ARAB9A
SCHEMBL863160 0.76 MAPK1 (0.56) LMNAMAPK1ALDH1A1KMT2ARAB9A
SCHEMBL16950659 0.76 BACE1 (0.43) LMNAALDH1A1KMT2ARAB9AMEN1
SCHEMBL63193 0.75 ALDH1A1 (0.59) ALDH1A1CYP3A4CA1CA2CYP1A2
SCHEMBL6196892 0.74 HPGD (0.59) LMNAALDH1A1KMT2ARAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934940-A1 CYTOKINE PRODUCTION INHIBITORS, TRIAZEPINE COMPOUNDS, AND INTERMEDIATES THEREOF Japan Tobacco Inc. (JP) 1999-08-11 EP disclosed
US-5807850-A Therapeutic agent for osteoporosis and triazepine compound JAPAN TOBACCO, INC. (JP) 1998-09-15 US disclosed
CN-1171788-A Therapeutic agent for osteoporosis and triaza * compound JAPAN TOBACCO INC (JP) 1998-01-28 CN disclosed
EP-0792880-A1 OSTEOPOROSIS REMEDY AND TRIAZEPINE COMPOUND Japan Tobacco Inc. (JP) 1997-09-03 EP disclosed