SCHEMBL9512221

SCHEMBL9512221

O=[N+]([O-])c1ccc(C=CC=Cc2ccc(N(CCO)CCO)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.60
▸ FBP1 P09467 2/20 0.46
▸ PTGS2 P35354 3/20 0.45
▸ PTGS1 P23219 1/20 0.45
▸ MAOB P27338 3/20 0.45
▸ MAPT P10636 4/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ POLB P06746 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TSHR P16473 2/20 0.43
▸ PPARG P37231 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ CYP19A1 P11511 1/20 0.42
▸ BCHE P06276 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
SCHEMBL9512215 1.00 APP (0.60) APPFBP1PTGS2PTGS1MAOB
SCHEMBL9512194 0.99 APP (0.63) APPFBP1PTGS2PTGS1MAOB
SCHEMBL9512198 0.99 APP (0.63) APPFBP1PTGS2PTGS1MAOB
SCHEMBL9512190 0.99 APP (0.63) APPFBP1PTGS2PTGS1MAOB
SCHEMBL9787348 0.99 APP (0.63) APPFBP1PTGS2PTGS1MAOB
SCHEMBL8422918 0.94 PTGS2 (0.51) APPFBP1PTGS2PTGS1MAOB
SCHEMBL8645474 0.94 PTGS2 (0.51) APPFBP1PTGS2PTGS1MAOB
SCHEMBL168393 0.87 ALDH1A1 (0.54) MAPTALDH1A1POLBGAAMEN1
SCHEMBL531065 0.86 ALDH1A1 (0.55) APPFBP1PTGS2PTGS1MAPT
SCHEMBL531064 0.86 ALDH1A1 (0.55) APPFBP1PTGS2PTGS1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0350112-B1 POLYURETHANES PREPARED FROM NON-LINEAR OPTICAL ACTIVE DIOLS Akzo Nobel N.V. (NL) 1993-10-06 — — EP disclosed
US-5001209-A Non-linear optical active diols and polyurethanes prepared therefrom AKZO N.V. (NL) 1991-03-19 — — US disclosed
EP-0350112-A1 Polyurethanes prepared from non-linear optical active diols Akzo Nobel N.V. (NL) 1990-01-10 — — EP disclosed
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