SCHEMBL7837141

SCHEMBL7837141

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
ABCG2 Q9UNQ0 2/20 0.55
TNFRSF1A P19438 3/20 0.52
TUBB4A P04350 4/20 0.51
TUBB P07437 4/20 0.51
TUBA3C P0DPH7 4/20 0.51
TUBA1B P68363 4/20 0.51
TUBA4A P68366 4/20 0.51
TUBB4B P68371 4/20 0.51
TUBB3 Q13509 4/20 0.51
TUBB2A Q13885 4/20 0.51
TUBB8 Q3ZCM7 4/20 0.51
TUBA3E Q6PEY2 4/20 0.51
TUBA1A Q71U36 4/20 0.51
TUBA1C Q9BQE3 4/20 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
SCHEMBL7837150 1.00 MEN1 (0.56) MEN1NPC1ALDH1A1MAPTRAB9A
SCHEMBL7836500 0.91 ABCG2 (0.53) MEN1NPC1ALDH1A1MAPTRAB9A
SCHEMBL7836507 0.91 ABCG2 (0.53) MEN1NPC1ALDH1A1MAPTRAB9A
SCHEMBL7835579 0.88 ALDH1A1 (0.73) MEN1NPC1ALDH1A1MAPTRAB9A
SCHEMBL7833189 0.88 MEN1 (0.57) MEN1NPC1ALDH1A1MAPTRAB9A
SCHEMBL7833184 0.88 MEN1 (0.57) MEN1NPC1ALDH1A1MAPTRAB9A
SCHEMBL7835590 0.88 ALDH1A1 (0.73) MEN1NPC1ALDH1A1MAPTRAB9A
SCHEMBL7836422 0.87 TUBB1 (0.57) MEN1NPC1ALDH1A1MAPTRAB9A
SCHEMBL7836420 0.87 TUBB1 (0.57) MEN1NPC1ALDH1A1MAPTRAB9A
SCHEMBL7838733 0.87 TNFRSF1A (0.67) MEN1NPC1ALDH1A1MAPTRAB9A

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