SCHEMBL8804182

SCHEMBL8804182

CCN(CCC(C#N)c1cc(OC)c(OC)c(OC)c1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.40
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
G6PD P11413 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
BLM P54132 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34

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
SCHEMBL8807301 0.81 KDM4E (0.44) CCR1MEN1KMT2AMAPK1TDP1
SCHEMBL8806761 0.78 CCR1 (0.43) CCR1MAPTTUBB4ATUBBTUBA3C
SCHEMBL9719915 0.77 CCR1 (0.48) CCR1MAPTTUBB4ATUBBTUBA3C
SCHEMBL8806831 0.77 THRB (0.39) MAPTMEN1KMT2AMAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL8805283 0.76 THRB (0.39) MAPTMEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL29061980 0.74 PTGS2 (0.47) CCR1MAPTMAPK1TUBB4ATUBB
SCHEMBL10910082 0.74 PTGS2 (0.47) CCR1MAPTMAPK1TUBB4ATUBB
SCHEMBL9491753 0.71 KMT2A (0.39) CCR1KMT2AMAPK1SMN1; SMN2TUBB4A
SCHEMBL7265584 0.70 CCR1 (0.42) CCR1MEN1KMT2AMAPK1CYP3A4
SCHEMBL11647498 0.69 ACHE (0.44) MAPTMEN1KMT2AMAPK1SMN1; SMN2

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-5633288-A EXPECTORANT YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1997-05-27 US disclosed
EP-0555481-B1 TRI(C1-C6 ALKOXY)BENZENE DERIVATIVE YAMANOUCHI PHARMA CO LTD (JP) 1997-01-22 EP disclosed
US-5498635-A RESPIRATORY DISORDERS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1996-03-12 US disclosed
US-5401775-A Pulmonary surfactant secretion promoter YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1995-03-28 US disclosed
EP-0555481-A1 TRI(C1-C6 ALKOXY)BENZENE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1993-08-18 EP disclosed