SCHEMBL8648142

SCHEMBL8648142

O=C(c1cc(O)cc(O)c1)c1cc(O)nc(O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FASN P49327 2/20 0.54
CA12 O43570 4/20 0.48
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
CA7 P43166 4/20 0.48
CA9 Q16790 4/20 0.48
CA14 Q9ULX7 4/20 0.48
CA5A P35218 1/20 0.46
NQO2 P16083 1/20 0.41
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
CLK1 P49759 1/20 0.38
DYRK1A Q13627 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
BACE1 P56817 1/20 0.38

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
SCHEMBL7939852 0.84 FASN (0.70) FASNCA12CA1CA2CA7
SCHEMBL8651998 0.82 FASN (0.68) FASNCA12CA1CA2CA7
SCHEMBL3545449 0.73 HTT (0.75) FASNCA12CA1CA2CA7
SCHEMBL3817409 0.73
Citrazinic Acid SCHEMBL185046 0.72 TSHR (0.56) CA12CA1CA2CA7CA9
SCHEMBL18529821 0.71 FASN (0.54) FASNCA12CA1CA2CA7
SCHEMBL366721 0.71 ALDH1A1 (0.67) FASNCA12CA1CA2CA7
SCHEMBL8650586 0.71 MEN1 (0.62) CA12CA1CA2CA7CA9
SCHEMBL8649732 0.71 HPGD (0.39) FASNLMNAMAPTHPGDHTT
SCHEMBL9639010 0.70 FASN (1.00) FASNCA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0443533-B1 Positive photoresist composition FUJI PHOTO FILM CO LTD (JP) 1998-09-30 EP disclosed
EP-0443533-A2 Positive photoresist composition FUJI PHOTO FILM CO., LTD. (JP) 1991-08-28 EP disclosed