SCHEMBL9192011

SCHEMBL9192011

COc1ccc(/C(=C\c2cc(OC)c(OC)c(OC)c2)C(=O)O)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.76
KMT2A Q03164 3/20 0.76
POLB P06746 1/20 0.76
KRAS P01116 1/20 0.60
NQO1 P15559 1/20 0.59
NQO2 P16083 1/20 0.59
AKR1C3 P42330 2/20 0.58
TUBB1 Q9H4B7 6/20 0.57
TUBB4A P04350 5/20 0.57
TUBB P07437 5/20 0.57
TUBA3C P0DPH7 5/20 0.57
TUBA1B P68363 5/20 0.57
TUBA4A P68366 5/20 0.57
TUBB4B P68371 5/20 0.57
TUBB3 Q13509 5/20 0.57
TUBB2A Q13885 5/20 0.57
TUBB8 Q3ZCM7 5/20 0.57
TUBA3E Q6PEY2 5/20 0.57
TUBA1A Q71U36 5/20 0.57
TUBA1C Q9BQE3 5/20 0.57

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
SCHEMBL9192013 1.00 MEN1 (0.76) MEN1KMT2APOLBKRASNQO1
SCHEMBL9188398 0.89 TUBB1 (0.65) MEN1KMT2APOLBKRASAKR1C3
SCHEMBL16331262 0.89 MEN1 (0.60) MEN1KMT2APOLBKRASNQO1
SCHEMBL16331264 0.89 MEN1 (0.60) MEN1KMT2APOLBKRASNQO1
SCHEMBL9188390 0.89 TUBB1 (0.65) MEN1KMT2APOLBKRASAKR1C3
SCHEMBL16331265 0.89 MEN1 (0.60) MEN1KMT2APOLBKRASNQO1
SCHEMBL3044137 0.87 MEN1 (0.74) MEN1KMT2APOLBKRASAKR1C3
SCHEMBL619542 0.87 TUBB1 (0.61) MEN1KMT2APOLBKRASNQO1
SCHEMBL3044134 0.87 MEN1 (0.74) MEN1KMT2APOLBKRASAKR1C3
SCHEMBL3047079 0.86 AKR1C3 (0.72) MEN1KMT2APOLBNQO2AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114702436-B Application of piperlonguminine compound in preparation of medicines for treating schistosomiasis japonica and pharmaceutical composition 赣南师范大学 2023-07-14 CN disclosed
US-8921614-B1 Selective deoxygenation of hydroxybenzaldehydes THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2014-12-30 US disclosed
US-5430062-A Combretastatin analogues; inhibition of tubulin polymerization and colchicine binding; antitumor,-mitotic and -neoplastic agents RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1995-07-04 US disclosed
EP-0641301-A1 STILBENE DERIVATIVES AS ANTICANCER AGENTS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1995-03-08 EP disclosed
WO-1993023357-A1 STILBENE DERIVATIVES AS ANTICANCER AGENTS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1993-11-25 WO disclosed