SCHEMBL7838733

SCHEMBL7838733

COc1cc(C(=O)/C=C/c2c[nH]c3ccc(Br)cc23)cc(OC)c1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 4/20 0.67
MEN1 O00255 1/20 0.56
NPC1 O15118 1/20 0.56
ALDH1A1 P00352 1/20 0.56
MAPT P10636 1/20 0.56
RAB9A P51151 1/20 0.56
KMT2A Q03164 1/20 0.56
KRAS P01116 2/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
ABCG2 Q9UNQ0 1/20 0.53
TUBB4A P04350 2/20 0.51
TUBB P07437 2/20 0.51
TUBA3C P0DPH7 2/20 0.51
TUBA1B P68363 2/20 0.51
TUBA4A P68366 2/20 0.51
TUBB4B P68371 2/20 0.51
TUBB3 Q13509 2/20 0.51
TUBB2A Q13885 2/20 0.51
TUBB8 Q3ZCM7 2/20 0.51

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
SCHEMBL7838735 1.00 TNFRSF1A (0.67) TNFRSF1AMEN1NPC1ALDH1A1MAPT
SCHEMBL7835579 0.88 ALDH1A1 (0.73) TNFRSF1AMEN1NPC1ALDH1A1MAPT
SCHEMBL7835590 0.88 ALDH1A1 (0.73) TNFRSF1AMEN1NPC1ALDH1A1MAPT
SCHEMBL7833184 0.88 MEN1 (0.57) TNFRSF1AMEN1NPC1ALDH1A1MAPT
SCHEMBL7833189 0.88 MEN1 (0.57) TNFRSF1AMEN1NPC1ALDH1A1MAPT
SCHEMBL7836420 0.87 TUBB1 (0.57) TNFRSF1AMEN1NPC1ALDH1A1MAPT
SCHEMBL7837150 0.87 MEN1 (0.56) TNFRSF1AMEN1NPC1ALDH1A1MAPT
SCHEMBL7837141 0.87 MEN1 (0.56) TNFRSF1AMEN1NPC1ALDH1A1MAPT
SCHEMBL7836422 0.87 TUBB1 (0.57) TNFRSF1AMEN1NPC1ALDH1A1MAPT
SCHEMBL7824299 0.85 MEN1 (0.64) TNFRSF1AMEN1NPC1ALDH1A1MAPT

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