SCHEMBL28802494

SCHEMBL28802494

COc1cc(C=Cc2ccc(NC(C)=O)cc2)cc(OC)c1OC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 6/20 0.63
TUBB P07437 6/20 0.63
TUBA3C P0DPH7 6/20 0.63
TUBA1B P68363 6/20 0.63
TUBA4A P68366 6/20 0.63
TUBB4B P68371 6/20 0.63
TUBB3 Q13509 6/20 0.63
TUBB2A Q13885 6/20 0.63
TUBB8 Q3ZCM7 6/20 0.63
TUBA3E Q6PEY2 6/20 0.63
TUBA1A Q71U36 6/20 0.63
TUBA1C Q9BQE3 6/20 0.63
TUBB6 Q9BUF5 6/20 0.63
TUBB2B Q9BVA1 6/20 0.63
TUBB1 Q9H4B7 6/20 0.63
ALDH1A1 P00352 4/20 0.62
HPGD P15428 4/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
MAPT P10636 2/20 0.62
MEN1 O00255 2/20 0.62

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
SCHEMBL21933243 0.87 SMN1; SMN2 (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL20537978 0.86 HTT (0.82) ALDH1A1HPGDSMN1; SMN2MAPTMEN1
SCHEMBL20537980 0.86 HTT (0.82) ALDH1A1HPGDSMN1; SMN2MAPTMEN1
SCHEMBL9363239 0.85 ABCG2 (0.77) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9363224 0.85 ABCG2 (0.77) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL19275925 0.83 HTT (0.70) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL21933246 0.82 LMNA (0.59) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4254439 0.82 CYP19A1 (0.59) ALDH1A1HPGDSMN1; SMN2MAPTMEN1
SCHEMBL20538290 0.81 HTT (0.75) ALDH1A1HPGDSMN1; SMN2MAPTMEN1
SCHEMBL20538150 0.81 HTT (0.75) ALDH1A1HPGDSMN1; SMN2MAPTMEN1

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-114796470-A Resveratrol compound and CAR-T cell targeting NKG2D ligand combined preparation of medicine for treating malignant tumor 深圳宾德生物技术有限公司 2022-07-29 CN disclosed