SCHEMBL9150374

SCHEMBL9150374

CCOC(=O)c1[nH]c2ccc(OC)cc2c1SC(C)(C)C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.68
KDM4E B2RXH2 7/20 0.68
HPGD P15428 5/20 0.68
MAPT P10636 3/20 0.68
NPC1 O15118 1/20 0.68
RAB9A P51151 1/20 0.68
TUBB4A P04350 6/20 0.68
TUBB P07437 6/20 0.68
TUBA3C P0DPH7 6/20 0.68
TUBA1B P68363 6/20 0.68
TUBA4A P68366 6/20 0.68
TUBB4B P68371 6/20 0.68
TUBB3 Q13509 6/20 0.68
TUBB2A Q13885 6/20 0.68
TUBB8 Q3ZCM7 6/20 0.68
TUBA3E Q6PEY2 6/20 0.68
TUBA1A Q71U36 6/20 0.68
TUBA1C Q9BQE3 6/20 0.68
TUBB6 Q9BUF5 6/20 0.68
TUBB2B Q9BVA1 6/20 0.68

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
SCHEMBL1193617 0.82 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL3993248 0.81 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL5812329 0.81 TUBB4A (1.00) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL38665015 0.80 ALDH1A1 (0.78) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL5812513 0.80 TUBB4A (0.76) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL5809749 0.79 TUBB4A (1.00) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL5808169 0.79 TUBB4A (1.00) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL7130349 0.79 ALDH1A1 (0.76) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL5809644 0.78 TUBB4A (0.80) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL5807613 0.78 TUBB4A (0.85) ALDH1A1KDM4EHPGDMAPTNPC1

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
US-5399699-A Lipoxygenase inihibitors, antiallergens, antiinflammatory agents ABBOTT LABORATORIES (US) 1995-03-21 US disclosed