SCHEMBL7966314

SCHEMBL7966314

CC(Oc1ccc2cc(/C=C/C(=O)N(C)C)ccc2c1)C(O)CCc1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PTAFR P25105 4/20 0.43
THRB P10828 1/20 0.41
CYP3A4 P08684 3/20 0.41
CYP1A1 P04798 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP1B1 Q16678 2/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
MET P08581 1/20 0.40
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
APP P05067 1/20 0.39
HDAC1 Q13547 1/20 0.39
CLK1 P49759 1/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KEAP1 Q14145 1/20 0.38

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
SCHEMBL7966316 1.00 MEN1 (0.44) MEN1KMT2APTAFRTHRBCYP3A4
SCHEMBL7966317 1.00 MEN1 (0.44) MEN1KMT2APTAFRTHRBCYP3A4
SCHEMBL7976695 0.82 RAB9A (0.46) MEN1KMT2ACCNCCDK8APP
SCHEMBL7982797 0.79 CYP1A2 (0.47) PTAFRCYP3A4CYP1A2CLK1POLB
SCHEMBL7982583 0.79 CYP1A2 (0.47) PTAFRCYP3A4CYP1A2CLK1POLB
SCHEMBL7982584 0.76 CCNC (0.40) PTAFRCYP3A4CYP1A2CYP4F2CYP4A11
SCHEMBL7982586 0.76 CCNC (0.40) PTAFRCYP3A4CYP1A2CYP4F2CYP4A11
SCHEMBL7976964 0.74 CACNA2D1 (0.41) PTAFRPOLB
SCHEMBL7966194 0.74 CACNA2D1 (0.41) PTAFRPOLB
SCHEMBL7966272 0.74 PTAFR (0.45) PTAFRCYP4F2CYP4A11POLB

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-6300352-B1 FOR THERAPY OF ASTHMA ASTRAZENECA AB (SE) 2001-10-09 US claimed
US-6300352-B1 FOR THERAPY OF ASTHMA ASTRAZENECA AB (SE) 2001-10-09 US disclosed