SCHEMBL3927140

SCHEMBL3927140

O=C1C(c2ccc(O)cc2)=C(O)c2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.69
MAPT P10636 5/20 0.68
ALDH1A1 P00352 2/20 0.68
NPC1 O15118 2/20 0.68
RAB9A P51151 2/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
TP53 P04637 1/20 0.68
MAPK10 P53779 1/20 0.68
HSD17B10 Q99714 1/20 0.68
MEN1 O00255 5/20 0.66
KMT2A Q03164 5/20 0.66
POLB P06746 1/20 0.66
SENP1 Q9P0U3 1/20 0.63
LMNA P02545 2/20 0.62
USP2 O75604 1/20 0.62
ESR1 P03372 5/20 0.59
ESR2 Q92731 5/20 0.59
PTPN1 P18031 1/20 0.53
BACE1 P56817 1/20 0.53
APAF1 O14727 2/20 0.52

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
SCHEMBL26655868 0.83 APAF1 (0.67) P2RX7MAPTALDH1A1NPC1RAB9A
SCHEMBL5280394 0.81 MAPT (1.00) P2RX7MAPTALDH1A1NPC1RAB9A
SCHEMBL12280399 0.80 P2RX7 (0.69) P2RX7MAPTALDH1A1NPC1RAB9A
SCHEMBL4446477 0.79 P2RX7 (0.73) P2RX7MAPTALDH1A1NPC1RAB9A
SCHEMBL10068409 0.79 P2RX7 (0.74) P2RX7MAPTALDH1A1NPC1RAB9A
SCHEMBL9176577 0.78 SENP1 (1.00) P2RX7SENP1ESR1ESR2
Anthraquinone SCHEMBL10924432 0.78 MEN1 (0.71) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7101602 0.77 FGFR1 (0.57) P2RX7MAPTALDH1A1NPC1RAB9A
SCHEMBL29630331 0.76 P2RX7 (0.76) P2RX7MAPTALDH1A1NPC1RAB9A
SCHEMBL3691126 0.74 P2RX7 (0.56) P2RX7MAPTALDH1A1NPC1RAB9A

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-2009009417-A2 PHARMACEUTICAL COMPOSITIONS AND METHODS OF PREVENTING, TREATING, OR INHIBITING INFLAMMATORY DISEASES, DISORDERS, OR CONDITIONS OF THE SKIN, AND DISEASES, DISORDERS, OR CONDITIONS ASSOCIATED WITH COLLAGEN DEPLETION WYETH (US) 2009-01-15 WO disclosed