SCHEMBL8092512

SCHEMBL8092512

O=C(O)c1ccc2cc(C(=O)NCCO)ccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.58
POLB P06746 2/20 0.58
HTT P42858 1/20 0.58
NR1H4 Q96RI1 1/20 0.55
HDAC3 O15379 4/20 0.50
HDAC4 P56524 4/20 0.50
HDAC1 Q13547 4/20 0.50
HDAC7 Q8WUI4 4/20 0.50
HDAC2 Q92769 4/20 0.50
HDAC10 Q969S8 4/20 0.50
HDAC11 Q96DB2 4/20 0.50
HDAC8 Q9BY41 4/20 0.50
HDAC6 Q9UBN7 4/20 0.50
HDAC9 Q9UKV0 4/20 0.50
HDAC5 Q9UQL6 4/20 0.50
MMP13 P45452 1/20 0.50
OPRM1 P35372 1/20 0.49
TMEM97 Q5BJF2 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
SPHK2 Q9NRA0 1/20 0.49

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
SCHEMBL1193527 0.86 HDAC1 (0.66) HPGDPOLBHTTNR1H4HDAC3
SCHEMBL28898473 0.85 L3MBTL1 (0.55) HPGDPOLBNR1H4HDAC3HDAC4
SCHEMBL23471096 0.83 POLB (0.58) HPGDPOLBHTTNR1H4HDAC2
SCHEMBL3017701 0.81 HPGD (0.57) HPGDPOLBHTTHDAC3HDAC4
Ethylene Glycol SCHEMBL7527989 0.81 KDM4E (0.59) HPGDPOLBNR1H4KDM4EALDH1A1
SCHEMBL3453839 0.80 HPGD (0.55) HPGDPOLBHTTHDAC3HDAC4
Terephthalic Acid SCHEMBL7993200 0.79 KDM4E (0.57) HPGDPOLBNR1H4KDM4EALDH1A1
SCHEMBL620074 0.79 POLB (0.66) HPGDPOLBHTTHDAC4HDAC6
SCHEMBL28810616 0.78 NR1H4 (0.53) NR1H4KDM4EALDH1A1MAPTPTPN11
1,3-Propanediol SCHEMBL3356738 0.77 KDM4E (0.55) HPGDPOLBNR1H4KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0810206-B1 Substituted 2-naphthoylguanidines, process for their preparation, their use as medicament or diagnostic agent and medicament containing them HOECHST AG (DE) 2000-12-27 EP disclosed
US-6087304-A ANTIARRHYTHMIC PHARMACEUTICALS HAVING A CARDIOPROTECTIVE COMPONENT FOR INFARCT PROPHYLAXIS AND INFARCT TREATMENT AND FOR THE TREATMENT OF ANGINA PECTORIS HOECHST AKTIENGESELLSCHAFT (DE) 2000-07-11 US disclosed
CN-1167759-A Substd. 2-naphthoyl guanidines, their preparing method, use and drug contg. them HOECHST AG (DE) 1997-12-17 CN disclosed
EP-0810206-A1 Substituted 2-naphtoylguanidines, process for their preparation, their use as medicament or diagnostic agent and medicament containing them HOECHST AKTIENGESELLSCHAFT (DE) 1997-12-03 EP disclosed