SCHEMBL7551240

SCHEMBL7551240

CCC(=Cc1ccc(N(CC)CC)cc1)C(=O)c1cc(OC)c(OC)c(OC)c1.COc1cc(C(=O)C(Br)=Cc2ccc(N(C)C)cc2)cc(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GFER P55789 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ MCL1 Q07820 1/20 0.45
▸ TUBB1 Q9H4B7 12/20 0.44
▸ TUBB4A P04350 5/20 0.44
▸ TUBB P07437 5/20 0.44
▸ TUBA3C P0DPH7 5/20 0.44
▸ TUBA1B P68363 5/20 0.44
▸ TUBA4A P68366 5/20 0.44
▸ TUBB4B P68371 5/20 0.44
▸ TUBB3 Q13509 5/20 0.44
▸ TUBB2A Q13885 5/20 0.44
▸ TUBB8 Q3ZCM7 5/20 0.44
▸ TUBA3E Q6PEY2 5/20 0.44
▸ TUBA1A Q71U36 5/20 0.44
▸ TUBA1C Q9BQE3 5/20 0.44
▸ TUBB6 Q9BUF5 5/20 0.44

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
SCHEMBL7551234 1.00 GFER (0.45) GFERALDH1A1LMNAMAPTMAPK1
SCHEMBL7617923 0.90 TUBB1 (0.53) GFERALDH1A1LMNAMAPTMAPK1
SCHEMBL7617918 0.90 TUBB1 (0.53) GFERALDH1A1LMNAMAPTMAPK1
SCHEMBL7613691 0.89 TUBB1 (0.54) GFERALDH1A1LMNAMAPTMAPK1
SCHEMBL7613696 0.89 TUBB1 (0.54) GFERALDH1A1LMNAMAPTMAPK1
SCHEMBL7552539 0.87 KRAS (0.55) GFERALDH1A1LMNAMAPTMAPK1
SCHEMBL7552543 0.87 KRAS (0.55) GFERALDH1A1LMNAMAPTMAPK1
SCHEMBL7611033 0.80 TUBB1 (0.62) ALDH1A1LMNAMAPTMAPK1TUBB1
SCHEMBL7611037 0.80 TUBB1 (0.62) ALDH1A1LMNAMAPTMAPK1TUBB1
SCHEMBL7607438 0.77 TUBB1 (0.67) GFERALDH1A1LMNAMAPTMAPK1

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
WO-2002047604-A2 NOVEL USE OF CHALCONE CLASS COMPOUNDS FOR INHIBITING TUMORAL MASS VASCULARIZATION AVENTIS PHARMA S.A. (FR) 2002-06-20 — — WO disclosed
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