SCHEMBL15569844

SCHEMBL15569844

CCC(O)CCc1ccc(OC)c(OC)c1

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 5/20 0.79
ADRB2 P07550 2/20 0.56
HTR1A P08908 1/20 0.56
ATM Q13315 2/20 0.54
KDM4E B2RXH2 1/20 0.54
CA2 P00918 1/20 0.52
POLB P06746 1/20 0.51
CYP19A1 P11511 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL10027124 1.00 STAT3 (0.79) STAT3ADRB2HTR1AATMKDM4E
SCHEMBL3578334 0.91 STAT3 (0.87) STAT3ADRB2HTR1AATMKDM4E
SCHEMBL10772217 0.90 STAT3 (0.65) STAT3HTR1AATMKDM4ECA2
SCHEMBL10772214 0.89 STAT3 (0.77) STAT3ADRB2HTR1AATMKDM4E
SCHEMBL12969998 0.87 ADRB2 (0.74) STAT3ADRB2HTR1AATMPOLB
SCHEMBL10027126 0.87 STAT3 (0.79) STAT3ADRB2HTR1AATMKDM4E
SCHEMBL6049246 0.84 STAT3 (0.57) STAT3ADRB2HTR1AATMKDM4E
SCHEMBL19354485 0.83 LDHA (0.60) STAT3ATMKDM4ECA2POLB
SCHEMBL15236787 0.83 STAT3 (0.73) STAT3ATMKDM4ECA2POLB
SCHEMBL15570024 0.83 LDHA (0.60) STAT3ATMKDM4ECA2POLB

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
EP-2885286-A1 2,3-BENZODIAZEPINES Bayer Pharma Aktiengesellschaft (DE) 2015-06-24 EP disclosed
WO-2014026997-A1 2,3-BENZODIAZEPINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-02-20 WO disclosed