SCHEMBL8003396

SCHEMBL8003396

COCCOCOc1c(I)cc(C(=O)c2ccc(OC)cc2)cc1I

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.48
TUBB P07437 1/20 0.48
TUBA3C P0DPH7 1/20 0.48
TUBA1B P68363 1/20 0.48
TUBA4A P68366 1/20 0.48
TUBB4B P68371 1/20 0.48
TUBB3 Q13509 1/20 0.48
TUBB2A Q13885 1/20 0.48
TUBB8 Q3ZCM7 1/20 0.48
TUBA3E Q6PEY2 1/20 0.48
TUBA1A Q71U36 1/20 0.48
TUBA1C Q9BQE3 1/20 0.48
TUBB6 Q9BUF5 1/20 0.48
TUBB2B Q9BVA1 1/20 0.48
TUBB1 Q9H4B7 1/20 0.48
MAPT P10636 4/20 0.46
LMNA P02545 4/20 0.46
RXFP1 Q9HBX9 2/20 0.46
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 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
SCHEMBL8003379 0.87 GAA (0.44) MAPTLMNAMAPK1CTNNB1ALDH1A1
SCHEMBL17879946 0.80 MAPT (0.57) MAPTLMNARXFP1MEN1MAPK1
SCHEMBL10426837 0.78 MAPT (0.62) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6723437 0.75 TUBB4A (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5579455 0.73 MAPT (0.59) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL12455672 0.73 MAPT (0.63) MAPTLMNAMAPK1RAB9AKMT2A
SCHEMBL13624844 0.72 F2 (0.41) MAPTMAPK1CTNNB1ALDH1A1GAA
SCHEMBL719973 0.72 GAA (0.72) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL12362759 0.71 TUBB4A (0.72) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1503531 0.70 PKM (0.56) MAPK1RAB9ACTNNB1ALDH1A1L3MBTL1

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
US-6124463-A TREATMENT OF AFFECTIVE DISORDER, ANXIETY OR DEPRESSION DUPONT PHARMACEUTICALS (US) 2000-09-26 US disclosed
US-6063815-A TREATMENT OF METABOLIC DISORDERS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-05-16 US disclosed