SCHEMBL7954142

SCHEMBL7954142

CCOC(=O)CCCCn1cc(C(=O)OCC)c2c(Cl)cc(O)cc21

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.48
CREBBP Q92793 1/20 0.42
BAZ2B Q9UIF8 1/20 0.42
BAZ2A Q9UIF9 1/20 0.42
TNF P01375 11/20 0.41
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.37
TEAD2 Q15562 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL27474223 0.97 CNR1 (0.47) CNR1CREBBPBAZ2BBAZ2ATNF
SCHEMBL7954482 0.87 CNR1 (0.46) CNR1CREBBPBAZ2BBAZ2ATNF
SCHEMBL7947040 0.83 CNR1 (0.46) CNR1CREBBPTDP1L3MBTL1
SCHEMBL27474224 0.80 CNR1 (0.45) CNR1CREBBPTNFTDP1L3MBTL1
SCHEMBL7955770 0.79 CNR1 (0.41) CNR1BAZ2BBAZ2APOLB
SCHEMBL7954138 0.75 TNF (0.40) TNFTDP1L3MBTL1
SCHEMBL8960027 0.68 CNR1 (0.66) CNR1CREBBPTNFLMNAPOLB
SCHEMBL13131391 0.68 CNR1 (0.46) CNR1CREBBPTNF
SCHEMBL8408536 0.67 TNF (0.45) TNFTDP1L3MBTL1
SCHEMBL23852674 0.66 TNF (0.50) CNR1TNF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6271251-B1 CARDIOVASCULAR DISORDERS SUMITOMO PHARMACEUTICALS COMPANY LIMITED (JP) 2001-08-07 US disclosed
CN-1058969-C Novel substd. guanidine derivs., process for prodn. thereof, and pharmaceutical uses thereof SUMITOMO PHARMA (JP) 2000-11-29 CN disclosed
US-5977100-A Substituted guanidine derivatives, process for production thereof, and pharmaceutical uses thereof SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1999-11-02 US disclosed
US-5834454-A TREATMENT OF ANGINA, ISCHEMIA, ARRHYTHMIA SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1998-11-10 US disclosed
EP-0787728-A1 Substituted guanidine derivatives, process for production thereof, and pharmaceutical uses thereof SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1997-08-06 EP disclosed