SCHEMBL9305563

SCHEMBL9305563

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.66
MAPT P10636 6/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
LMNA P02545 3/20 0.54
NPSR1 Q6W5P4 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
HTT P42858 1/20 0.54
PTGS1 P23219 2/20 0.54
MAOB P27338 1/20 0.53
FBP1 P09467 1/20 0.51
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.51
POLB P06746 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
DRD3 P35462 1/20 0.50

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
SCHEMBL9305557 1.00 PTGS2 (0.66) PTGS2MAPTMEN1KMT2ALMNA
SCHEMBL9750518 0.94 PTGS2 (0.62) PTGS2MAPTMEN1KMT2ALMNA
SCHEMBL10409899 0.94 PTGS2 (0.62) PTGS2MAPTMEN1KMT2ALMNA
SCHEMBL9788056 0.94 PTGS2 (0.62) PTGS2MAPTMEN1KMT2ALMNA
SCHEMBL9750517 0.94 PTGS2 (0.62) PTGS2MAPTMEN1KMT2ALMNA
SCHEMBL10336454 0.94 PTGS2 (0.62) PTGS2MAPTMEN1KMT2ALMNA
SCHEMBL10336456 0.94 PTGS2 (0.62) PTGS2MAPTMEN1KMT2ALMNA
SCHEMBL10409901 0.94 PTGS2 (0.62) PTGS2MAPTMEN1KMT2ALMNA
SCHEMBL9788054 0.94 PTGS2 (0.62) PTGS2MAPTMEN1KMT2ALMNA
SCHEMBL9335745 0.92 PTGS2 (0.68) PTGS2MAPTMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4909964-A With optical light source and means to direct radiation E. I. DUPONT DE NEMOURS AND COMPANY (US) 1990-03-20 US claimed
US-5326661-A Photorefractive polymers containing discrete photoconductive and electrooptical units HOECHST CELANESE CORP. (US) 1994-07-05 US disclosed
US-4966730-A CAPABILITY OF SECOND HARMONIC GENERATION USING ELECTROOPTICAL MODULAR E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-10-30 US disclosed
US-4909964-A With optical light source and means to direct radiation E. I. DUPONT DE NEMOURS AND COMPANY (US) 1990-03-20 US disclosed