SCHEMBL7792459

SCHEMBL7792459

CCCOc1ccc(OCCN2CCOCC2)c2c1-c1c(OCCN3CCOCC3)cccc1C2=O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
TSHR P16473 3/20 0.48
KMT2A Q03164 2/20 0.48
BRD4 O60885 1/20 0.48
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
DRD1 P21728 1/20 0.46
DRD4 P21917 1/20 0.46
DRD5 P21918 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
USP2 O75604 1/20 0.45
MAOB P27338 1/20 0.45
MEN1 O00255 1/20 0.45
CYP2D6 P10635 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44

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
SCHEMBL7795750 0.94 KDM4E (0.50) KDM4ETSHRKMT2ABRD4POLB
SCHEMBL7795928 0.94 TSHR (0.52) KDM4ETSHRKMT2ASMN1; SMN2USP2
SCHEMBL7786152 0.93 KDM4E (0.51) KDM4ETSHRKMT2ABRD4POLB
SCHEMBL7792380 0.91 CYP2D6 (0.53) KDM4ETSHRBRD4POLBSMN1; SMN2
SCHEMBL7791839 0.90 MAPK1 (0.56) KDM4ETSHRSMN1; SMN2USP2CYP2D6
SCHEMBL7792297 0.90 KDM4E (0.46) KDM4ETSHRKMT2ABRD4POLB
SCHEMBL7786118 0.90 KDM4E (0.46) KDM4ETSHRKMT2ABRD4POLB
SCHEMBL7792620 0.90 TDP1 (0.49) KDM4ETSHRKMT2APOLBSMN1; SMN2
SCHEMBL7796344 0.88 MAPK1 (0.53) KDM4ETSHRKMT2ABRD4POLB
SCHEMBL7792704 0.88 SMN1; SMN2 (0.49) KDM4ETSHRKMT2APOLBSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0906268-B1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS AVENTIS PHARMA INC (US) 2001-11-28 EP disclosed
US-6004959-A HYPOTENSIVE, ANTITUMOR, ANTIINFLAMMATORY AND ANTIASTHMATIC AGENTS; ANGIOGENESIS AND ALVEOLAR MACROPHAGE ACTIVATION INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1999-12-21 US disclosed