SCHEMBL7322923

SCHEMBL7322923

CCOc1cccc(CNCC(O)COc2ccc3[nH]c(=O)ccc3c2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
KCNH2 Q12809 1/20 0.44
ADRB2 P07550 2/20 0.43
ADRB1 P08588 2/20 0.43
ADRB3 P13945 2/20 0.43
KDM1A O60341 1/20 0.43
LMNA P02545 1/20 0.43
FAAH O00519 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40

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
Hydrochloric Acid SCHEMBL7323407 0.99 TP53 (0.46) TP53KCNH2ADRB2ADRB1ADRB3
Hydrochloric Acid SCHEMBL7372909 0.99 TP53 (0.46) TP53KCNH2ADRB2ADRB1ADRB3
Hydrochloric Acid SCHEMBL7330275 0.99 TP53 (0.46) TP53KCNH2ADRB2ADRB1ADRB3
SCHEMBL7329866 0.92 KDM4E (0.47) KCNH2ADRB2ADRB1ADRB3KDM1A
SCHEMBL7375804 0.92 KDM4E (0.47) KCNH2ADRB2ADRB1ADRB3KDM1A
SCHEMBL6650940 0.92 KDM4E (0.47) KCNH2ADRB2ADRB1ADRB3KDM1A
Hydrochloric Acid SCHEMBL6650330 0.91 KDM4E (0.47) KCNH2ADRB2ADRB1ADRB3KDM1A
SCHEMBL7319894 0.91 KCNH2 (0.43) KCNH2ADRB2ADRB1ADRB3KDM1A
Hydrochloric Acid SCHEMBL7329593 0.90 TP53 (0.56) TP53KCNH2ADRB2ADRB1ADRB3
SCHEMBL6648856 0.88 LMNA (0.47) TP53KCNH2ADRB2ADRB1ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0355583-B1 Cardiotonics OTSUKA PHARMA CO LTD (JP) 1995-01-25 EP claimed
US-5266577-A Method of treating congestive heart failure using carbostyril derivatives OTSUKA PHARMACEUTICAL COMPANY LTD. (JP) 1993-11-30 US claimed
EP-0355583-A2 Cardiotonics OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-02-28 EP claimed