SCHEMBL7835462

SCHEMBL7835462

COc1cc(C(=O)C=Cc2c[nH]c3ccc(OCc4ccccc4)cc23)cc(OC)c1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
MAPT P10636 3/20 0.64
NPC1 O15118 2/20 0.64
ALDH1A1 P00352 2/20 0.64
RAB9A P51151 2/20 0.64
TNFRSF1A P19438 4/20 0.54
PTPN1 P18031 1/20 0.52
HSP90AA1 P07900 1/20 0.48
HSP90AB1 P08238 1/20 0.48
LTA4H P09960 1/20 0.48
PLA2G2A P14555 1/20 0.48
GAA P10253 1/20 0.48
GPR55 Q9Y2T6 1/20 0.48
ABCB1 P08183 1/20 0.48
MAOB P27338 1/20 0.48
BCHE P06276 1/20 0.47
APP P05067 1/20 0.47
HPGD P15428 1/20 0.46
NFKB1 P19838 1/20 0.46

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
SCHEMBL7835457 1.00 MEN1 (0.64) MEN1KMT2AMAPTNPC1ALDH1A1
SCHEMBL8430224 0.87 MEN1 (0.58) MEN1KMT2AMAPTNPC1ALDH1A1
SCHEMBL8430231 0.87 MEN1 (0.58) MEN1KMT2AMAPTNPC1ALDH1A1
SCHEMBL7835579 0.86 ALDH1A1 (0.73) MEN1KMT2AMAPTNPC1ALDH1A1
SCHEMBL7835590 0.86 ALDH1A1 (0.73) MEN1KMT2AMAPTNPC1ALDH1A1
SCHEMBL10501049 0.83 MEN1 (0.59) MEN1KMT2AMAPTNPC1ALDH1A1
SCHEMBL10501064 0.83 MEN1 (0.59) MEN1KMT2AMAPTNPC1ALDH1A1
SCHEMBL13724460 0.83 ALDH1A1 (0.62) MEN1KMT2AMAPTNPC1ALDH1A1
SCHEMBL13724461 0.83 ALDH1A1 (0.62) MEN1KMT2AMAPTNPC1ALDH1A1
SCHEMBL15325653 0.82 MEN1 (0.58) MEN1KMT2AMAPTNPC1ALDH1A1

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-0680950-B1 PROPENONE DERIVATIVES KYOWA HAKKO KOGYO KK (JP) 2001-05-23 EP disclosed
US-5952355-A 1-ETHER-SUBSTITUTED PHENYL-3-INDOL-3-YL-2-PROPEN-1-ONE DERIVATIVES; ANTITUMOR AND -CARCINOGENIC AGENTS; IMMUNOSUPPRESSANTS; AUTOIMMUNE DISEASES; SIDE EFFECT REDUCTION KYOWA HAKKO KOGYO CO., LTD. (JP) 1999-09-14 US disclosed
EP-0680950-A1 PROPENONE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 1995-11-08 EP disclosed