SCHEMBL28779745

SCHEMBL28779745

C=C(C(=O)Cl)c1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB4A P04350 4/20 0.49
▸ TUBB P07437 4/20 0.49
▸ TUBA3C P0DPH7 4/20 0.49
▸ TUBA1B P68363 4/20 0.49
▸ TUBA4A P68366 4/20 0.49
▸ TUBB4B P68371 4/20 0.49
▸ TUBB3 Q13509 4/20 0.49
▸ TUBB2A Q13885 4/20 0.49
▸ TUBB8 Q3ZCM7 4/20 0.49
▸ TUBA3E Q6PEY2 4/20 0.49
▸ TUBA1A Q71U36 4/20 0.49
▸ TUBA1C Q9BQE3 4/20 0.49
▸ TUBB6 Q9BUF5 4/20 0.49
▸ TUBB2B Q9BVA1 4/20 0.49
▸ TUBB1 Q9H4B7 4/20 0.49
▸ MAPT P10636 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ TPMT P51580 1/20 0.47
▸ KMT2A Q03164 4/20 0.46
▸ MEN1 O00255 3/20 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
SCHEMBL9859825 0.85 TUBB4A (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7639319 0.83 TPMT (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29002168 0.81 MEN1 (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4035371 0.81 HTT (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6160353 0.81 TUBB1 (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28275397 0.80 TUBB4A (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL219096 0.80 TUBB4A (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28444108 0.80 TSHR (0.61) MAPTLMNATPMTALDH1A1ABCG2
SCHEMBL28694727 0.77 MEN1 (0.64) MAPTKMT2AMEN1ALDH1A1ABCG2
SCHEMBL3022881 0.76 TUBB1 (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114702436-A Application of piperlonguminine compound in preparation of medicine for treating schistosomiasis japonica and medicine composition 赣南师范大学 2022-07-05 — — CN disclosed
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