SCHEMBL903987

SCHEMBL903987

COc1ccc(C(=O)O)c(OS(=O)(=O)C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
AKR1C3 P42330 9/20 0.44
AKR1C2 P52895 9/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 2/20 0.44
KCNK2 O95069 1/20 0.43
KCNK10 P57789 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HSD11B1 P28845 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL3198514 0.90 ALDH1A1 (0.51) KDM4EAKR1C3AKR1C2SMN1; SMN2NPC1
SCHEMBL294877 0.89 KDM4E (0.44) KDM4ESMN1; SMN2NPC1ALDH1A1HSD11B1
SCHEMBL3480606 0.85 LMNA (0.57) KDM4EPOLBSMN1; SMN2NPC1ALDH1A1
SCHEMBL974920 0.82 HSD11B1 (0.45) KDM4ESMN1; SMN2ALDH1A1HSD11B1MAPT
SCHEMBL13111272 0.82 NPC1 (0.46) KDM4ESMN1; SMN2NPC1ALDH1A1HSD11B1
SCHEMBL7930838 0.82 ALDH1A1 (0.43) KDM4EPOLBALDH1A1HSD11B1MEN1
SCHEMBL6551724 0.81 HSD11B1 (0.46) KDM4ENPC1HSD11B1MAPTRAB9A
SCHEMBL6935409 0.81 CA12 (0.55) POLBSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6938157 0.81 CA12 (0.55) POLBSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL3491420 0.81 HSD11B1 (0.50) KDM4EPOLBSMN1; SMN2ALDH1A1HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012042265-A1 NOVEL ACRIDINE DERIVATIVES PHARMINOX LIMITED (GB) 2012-04-05 WO disclosed