SCHEMBL7794764

SCHEMBL7794764

O=C1c2cccc(OCCCN3CCOCC3)c2-c2cccc(OCCCN3CCOCC3)c21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.58
KDM4E B2RXH2 5/20 0.56
CYP2D6 P10635 2/20 0.55
TSHR P16473 1/20 0.55
CYP1A2 P05177 2/20 0.54
CYP2C19 P33261 1/20 0.54
POLB P06746 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
KCNA3 P22001 1/20 0.48
CHEK1 O14757 1/20 0.48
HRH3 Q9Y5N1 2/20 0.47
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
HTR2A P28223 1/20 0.47
MAPK1 P28482 1/20 0.47
SCN1A P35498 1/20 0.47
HTR2B P41595 1/20 0.47

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
SCHEMBL7792581 0.96 USP2 (0.54) USP2KDM4ECYP2D6TSHRCYP1A2
SCHEMBL7795798 0.94 KDM4E (0.57) USP2KDM4ECYP2D6TSHRCYP1A2
SCHEMBL7786544 0.87 ALDH1A1 (0.56) KDM4ECYP2D6CYP2C19POLBL3MBTL1
SCHEMBL7786100 0.86 MAPK1 (0.60) USP2KDM4ECYP2D6TSHRCYP1A2
SCHEMBL7795850 0.86 TSHR (0.55) USP2KDM4ECYP2D6TSHRCYP1A2
SCHEMBL7792140 0.86 CYP2D6 (0.65) USP2KDM4ECYP2D6TSHRCYP1A2
SCHEMBL7786110 0.86 CYP2D6 (0.55) USP2KDM4ECYP2D6TSHRCYP1A2
Hydrochloric Acid SCHEMBL9539426 0.86 USP2 (0.55) USP2KDM4ECYP2D6TSHRCYP1A2
SCHEMBL7791839 0.86 MAPK1 (0.56) USP2KDM4ECYP2D6TSHRCYP1A2
SCHEMBL7795928 0.86 TSHR (0.52) USP2KDM4ECYP2D6TSHRCYP1A2

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-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
EP-0906268-A1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1999-04-07 EP disclosed
WO-1997045397-A1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1997-12-04 WO disclosed