SCHEMBL9053580

SCHEMBL9053580

O=C(O)c1cc(O)c(O)c(OS(=O)(=O)c2ccccc2C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALKBH2 Q6NS38 1/20 0.43
ALKBH3 Q96Q83 1/20 0.43
FTO Q9C0B1 1/20 0.43
PTGS2 P35354 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
POLB P06746 2/20 0.40
POLA1 P09884 1/20 0.40
ANTXR2 P58335 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL9057549 0.81 PTGS2 (0.45) PTGS2MEN1KMT2AALDH1A1RAB9A
SCHEMBL9056928 0.81 MEN1 (0.54) ALKBH2ALKBH3PTGS2MEN1KMT2A
SCHEMBL9054225 0.80 PTGS2 (0.59) PTGS2MEN1KMT2AALDH1A1RAB9A
SCHEMBL9054334 0.78 PTGS2 (0.51) PTGS2ALDH1A1RAB9ANPC1POLB
SCHEMBL9052370 0.78 PTGS2 (0.42) PTGS2MEN1KMT2AALDH1A1RAB9A
SCHEMBL9058253 0.78 HPGD (0.49) ALKBH2ALKBH3FTOMEN1KMT2A
SCHEMBL9058254 0.78 HPGD (0.49) ALKBH2ALKBH3FTOMEN1KMT2A
SCHEMBL9058011 0.76 ALKBH2 (0.37) ALKBH2ALKBH3FTOMEN1KMT2A
SCHEMBL15453683 0.75 MEN1 (0.49) MEN1KMT2AALDH1A1KAT6ASLC22A12
SCHEMBL9056520 0.72 ENPP2 (0.49) MEN1KMT2AALDH1A1KDM4ECA1

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
WO-1996008483-A1 GALLIC ACID DERIVATIVES, METHOD FOR THEIR PREPARATION AND THEIR USE AS DRUGS ROUSSEL UCLAF (FR) 1996-03-21 WO claimed
WO-1996008483-A1 GALLIC ACID DERIVATIVES, METHOD FOR THEIR PREPARATION AND THEIR USE AS DRUGS ROUSSEL UCLAF (FR) 1996-03-21 WO disclosed