SCHEMBL7044392

SCHEMBL7044392

Cc1cc(=O)oc2cc(OCC#CCN3CCOCC3)ccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.63
ALDH1A1 P00352 11/20 0.63
HPGD P15428 6/20 0.63
MAPT P10636 3/20 0.63
TP53 P04637 1/20 0.61
POLB P06746 1/20 0.61
RECQL P46063 1/20 0.61
HSD17B10 Q99714 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
GLA P06280 2/20 0.60
GAA P10253 2/20 0.60
TSHR P16473 1/20 0.60
ALDH2 P05091 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
LMNA P02545 2/20 0.58
MAOB P27338 3/20 0.56
USP2 O75604 1/20 0.56
HTR1A P08908 1/20 0.52
DRD2 P14416 1/20 0.52
DRD3 P35462 1/20 0.52

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
SCHEMBL11501912 0.91 MAOB (0.67) KDM4EALDH1A1HPGDMAPTTP53
SCHEMBL11502029 0.90 MAOB (0.69) KDM4EALDH1A1HPGDMAPTTP53
SCHEMBL7044951 0.81 XDH (0.56) KDM4EALDH1A1MAOBMAOATDP1
SCHEMBL7044938 0.79 ALDH1A1 (0.47) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL7040569 0.79 KDM4E (0.54) KDM4EALDH1A1HPGDMAPTTP53
SCHEMBL7042817 0.78 SIGMAR1 (0.59)
SCHEMBL11502207 0.78 ALDH1A1 (0.67) KDM4EALDH1A1HPGDMAPTTP53
SCHEMBL2465940 0.76 ALDH1A1 (0.65) KDM4EALDH1A1HPGDMAPTTP53
Giparmen SCHEMBL2109323 0.75 ALDH1A1 (1.00) KDM4EALDH1A1HPGDMAPTTP53
SCHEMBL2465863 0.74 MAOB (0.53) KDM4EALDH1A1POLBL3MBTL1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6608089-B2 Having antiproliferative activity and are useful as modulators of multiple drug resistance in cancer chemotherapy of neoplasms, for use in manufacture of medicament for menopausal disorders and osteoporosis INDENA S.P.A. (IT) 2003-08-19 US claimed
EP-1212312-B1 NOVEL DERIVATIVES OF FLAVONES, XANTHONES AND COUMARINS INDENA SPA (IT) 2003-04-02 EP claimed
CN-1371371-A Novel derivatives of flavones, xanthones and coumarins INDENA SPA (IT) 2002-09-25 CN claimed
EP-1212312-B1 NOVEL DERIVATIVES OF FLAVONES, XANTHONES AND COUMARINS INDENA SPA (IT) 2003-04-02 EP disclosed
EP-1212312-A1 NOVEL DERIVATIVES OF FLAVONES, XANTHONES AND COUMARINS INDENA S.p.A. (IT) 2002-06-12 EP disclosed
WO-2001017985-A1 NOVEL DERIVATIVES OF FLAVONES, XANTHONES AND COUMARINS INDENA S.P.A. (IT) 2001-03-15 WO disclosed
US-4151291-A ANALGESICS UNICLER (FR) 1979-04-24 US disclosed