SCHEMBL20006949

SCHEMBL20006949

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 9/20 0.56
▸ MAPT P10636 2/20 0.52
▸ TUBB4A P04350 5/20 0.50
▸ TUBB P07437 5/20 0.50
▸ TUBA3C P0DPH7 5/20 0.50
▸ TUBA1B P68363 5/20 0.50
▸ TUBA4A P68366 5/20 0.50
▸ TUBB4B P68371 5/20 0.50
▸ TUBB3 Q13509 5/20 0.50
▸ TUBB2A Q13885 5/20 0.50
▸ TUBB8 Q3ZCM7 5/20 0.50
▸ TUBA3E Q6PEY2 5/20 0.50
▸ TUBA1A Q71U36 5/20 0.50
▸ TUBA1C Q9BQE3 5/20 0.50
▸ TUBB6 Q9BUF5 5/20 0.50
▸ TUBB2B Q9BVA1 5/20 0.50
▸ TPMT P51580 1/20 0.49
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ ABCG2 Q9UNQ0 1/20 0.47

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
SCHEMBL4625442 0.86 TUBB1 (0.58) TUBB1MAPTTUBB4ATUBBTUBA3C
SCHEMBL23734449 0.84 TUBB1 (0.55) TUBB1MAPTTUBB4ATUBBTUBA3C
SCHEMBL3022881 0.82 TUBB1 (0.55) TUBB1MAPTTUBB4ATUBBTUBA3C
SCHEMBL6859776 0.81 TPMT (0.50) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL24147879 0.80 MEN1 (0.47) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8590728 0.80 ALDH1A1 (0.51) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL907576 0.80 TPMT (0.56) TUBB1MAPTTUBB4ATUBBTUBA3C
SCHEMBL27417353 0.79 MAPT (0.54) TUBB1MAPTTUBB4ATUBBTUBA3C
SCHEMBL290542 0.79 LMNA (0.69) TUBB1MAPTTUBB4ATUBBTUBA3C
SCHEMBL24147880 0.79 TUBB1 (0.49) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110526854-B Alpha, beta-unsaturated ketone derivative, preparation method and application thereof as medicine 宁夏医科大学 2023-12-15 — — CN disclosed
EP-2942345-B1 3,4,5-TRIMETHOXYSTYRYLARYLAMINOPROPENONES FOR THE TREATMENT OF CANCER COUNCIL SCIENT IND RES (IN) 2018-03-28 — — EP disclosed
Send feedback