SCHEMBL27404637

SCHEMBL27404637

[CH2]c1ccc(OCCOC)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.44
▸ INPPL1 O15357 1/20 0.41
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ MAOA P21397 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ MAPT P10636 3/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ CCL2 P13500 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ APLNR P35414 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TUBB4A P04350 1/20 0.36
▸ TUBB P07437 1/20 0.36
▸ TUBA3C P0DPH7 1/20 0.36

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
SCHEMBL9782939 0.86 THRA (0.46) MAPK1CA12CA1CA2CA7
SCHEMBL7850478 0.84 CYP3A4 (0.42) MAPK1CA12CA1CA2CA7
SCHEMBL10983336 0.81 NQO1 (0.48) CA12CA1CA2CA7CA9
SCHEMBL8019643 0.81 THRA (0.52) —
SCHEMBL8251636 0.80 L3MBTL1 (0.45) MAPK1INPPL1CA12CA1CA2
SCHEMBL13624065 0.79 MAPK1 (0.41) MAPK1INPPL1CA12CA1CA2
SCHEMBL14239879 0.79 ALDH1A1 (0.61) MAPK1INPPL1CA12CA1CA2
SCHEMBL22638161 0.79 MAPK1 (0.44) MAPK1INPPL1CA12CA1CA2
SCHEMBL126703 0.78 CA12 (0.62) MAPK1CA12CA1CA2CA7
SCHEMBL6706305 0.78 FFAR1 (0.48) LMNA

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-1106663-A Thienopyrimidine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-08-16 — — CN disclosed
Send feedback