SCHEMBL7836770

SCHEMBL7836770

COc1cc(C(=O)C=Cc2c[nH]c3c(OC)c(O)ccc23)cc(OC)c1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 5/20 0.57
TUBB4A P04350 3/20 0.57
TUBB P07437 3/20 0.57
TUBA3C P0DPH7 3/20 0.57
TUBA1B P68363 3/20 0.57
TUBA4A P68366 3/20 0.57
TUBB4B P68371 3/20 0.57
TUBB3 Q13509 3/20 0.57
TUBB2A Q13885 3/20 0.57
TUBB8 Q3ZCM7 3/20 0.57
TUBA3E Q6PEY2 3/20 0.57
TUBA1A Q71U36 3/20 0.57
TUBA1C Q9BQE3 3/20 0.57
TUBB6 Q9BUF5 3/20 0.57
TUBB2B Q9BVA1 3/20 0.57
ABCG2 Q9UNQ0 2/20 0.54
TNFRSF1A P19438 4/20 0.53
ABCB1 P08183 3/20 0.51
DPP4 P27487 1/20 0.48
KRAS P01116 1/20 0.48

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
SCHEMBL7836759 1.00 TUBB1 (0.57) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7835322 0.91 TNFRSF1A (0.58) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7835331 0.91 TNFRSF1A (0.58) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7832784 0.85 ABCB1 (0.58) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7832790 0.85 ABCB1 (0.58) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7834270 0.83 ABCB1 (0.56) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7834263 0.83 ABCB1 (0.56) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7835456 0.82 TNFRSF1A (0.59) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7835444 0.82 TNFRSF1A (0.59) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7836505 0.81 TUBB1 (0.55) TUBB1TUBB4ATUBBTUBA3CTUBA1B

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