SCHEMBL11546384

SCHEMBL11546384

CCCCc1ccc2oc3cc(C(=O)O)c(O)nc3c(=O)c2c1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 7/20 0.50
▸ IKBKE Q14164 2/20 0.47
▸ KAT8 Q9H7Z6 2/20 0.43
▸ PPARA Q07869 1/20 0.43
▸ EIF4A1 P60842 9/20 0.41
▸ DHODH Q02127 1/20 0.41

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
SCHEMBL2906858 0.90 TBK1 (0.59) TBK1IKBKE
SCHEMBL11364300 0.89 TBK1 (0.47) TBK1IKBKE
SCHEMBL11358711 0.88 TBK1 (0.49) TBK1IKBKE
SCHEMBL11548704 0.80 NPC1 (0.57) TBK1IKBKE
SCHEMBL2907432 0.79 TBK1 (0.56) TBK1IKBKE
SCHEMBL11357263 0.79 TBK1 (0.60) TBK1IKBKE
SCHEMBL19196860 0.77 TBK1 (0.80) TBK1IKBKE
SCHEMBL11545315 0.77 KDM4E (0.56) —
SCHEMBL11374157 0.77 TBK1 (0.44) TBK1IKBKE
SCHEMBL11362855 0.77 RAB9A (0.51) TBK1IKBKE

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-4143042-A ANTIALLERGENS, BRONCHODILATOR AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1979-03-06 — — US claimed
Send feedback