SCHEMBL7031301

SCHEMBL7031301

C=Cc1cccc(C(F)(F)F)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.42
ALOX12 P18054 1/20 0.41
GRIN2D O15399 2/20 0.39
GRIN3B O60391 2/20 0.39
GRIN1 Q05586 2/20 0.39
GRIN2A Q12879 2/20 0.39
GRIN2B Q13224 2/20 0.39
GRIN2C Q14957 2/20 0.39
GRIN3A Q8TCU5 2/20 0.39
MAOB P27338 6/20 0.38
P4HB P07237 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
ERN1 O75460 2/20 0.36
MAOA P21397 1/20 0.36
BACE1 P56817 1/20 0.36
CA2 P00918 1/20 0.35
MAPT P10636 2/20 0.35

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
SCHEMBL30843799 0.80 ERN1 (0.57) NFKB1ALOX12MAOBP4HBABCG2
SCHEMBL12459221 0.80 ALOX12 (0.62) ALOX12ALDH1A1CA2MAPTATM
SCHEMBL1125310 0.80 ERN1 (0.57) NFKB1ALOX12MAOBP4HBABCG2
SCHEMBL29446986 0.79 NFKB1 (0.52) NFKB1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL165004 0.79 NFKB1 (0.52) NFKB1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL396017 0.78 CA2 (0.55) NFKB1MEN1KMT2AALDH1A1CA2
SCHEMBL4962062 0.78 ALDH1A1 (0.46) ALOX12MEN1KMT2AALDH1A1ERN1
SCHEMBL453534 0.78 NFKB1 (0.39) NFKB1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5963736 0.78 NFKB1 (0.39) NFKB1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL25090393 0.76 P2RX7 (0.44) NFKB1GRIN2DGRIN3BGRIN1GRIN2A

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
WO-2002023274-A9 PHOTORESIST COMPOSITION SHIPLEY CO LLC (US) 2003-11-13 WO disclosed
US-6645695-B2 Crosslinked polymeric particles and a photoactive component, wherein the polymeric particles comprise cleavable group(s); free of surfactant; forming relief images SHIPLEY COMPANY, L.L.C. 2003-11-11 US disclosed
US-20020051928-A1 Photoresist composition SHIPLEY COMPANY, L.L.C. (US) 2002-05-02 US disclosed
WO-2002023274-A2 PHOTORESIST COMPOSITION SHIPLEY COMPANY, L.L.C. (US) 2002-03-21 WO disclosed