SCHEMBL27705266

SCHEMBL27705266

O=C(O)c1cccc(CCc2cccc(CO)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.55
NPC1 O15118 1/20 0.55
TP53 P04637 1/20 0.55
MAPT P10636 1/20 0.55
XBP1 P17861 1/20 0.55
HTT P42858 1/20 0.55
RAB9A P51151 1/20 0.55
HSD17B10 Q99714 1/20 0.55
TSHR P16473 1/20 0.50
PRSS1 P07477 1/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50
DHODH Q02127 1/20 0.49
GRM2 Q14416 1/20 0.49
GRM3 Q14832 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
HIF1A Q16665 1/20 0.49
ANPEP P15144 1/20 0.49

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
SCHEMBL129182 0.92 FOLH1 (0.68) FOLH1SMN1; SMN2NPC1TP53MAPT
SCHEMBL27705270 0.91 FOLH1 (0.58) FOLH1SMN1; SMN2NPC1TP53MAPT
Water SCHEMBL7811295 0.90 FOLH1 (0.66) FOLH1SMN1; SMN2NPC1TP53MAPT
SCHEMBL371526 0.90 FOLH1 (0.70) FOLH1CYP2D6CYP2C9HIF1AANPEP
SCHEMBL27705274 0.87 SMN1; SMN2 (0.60) FOLH1SMN1; SMN2NPC1TP53MAPT
SCHEMBL30395109 0.86 FOLH1 (0.66) FOLH1CYP2D6CYP2C9HIF1AANPEP
SCHEMBL1817886 0.86 FOLH1 (0.66) FOLH1CYP2D6CYP2C9HIF1AANPEP
Benzoic Acid SCHEMBL5085787 0.86 TSHR (0.58) FOLH1SMN1; SMN2NPC1TP53MAPT
SCHEMBL334419 0.85 CYP4F2 (0.64) FOLH1DHODHCYP2D6CYP2C9HIF1A
SCHEMBL13811862 0.84 FOLH1 (0.58) FOLH1GRM2GRM3CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101955470-A Glutamate receptor potentiators LILLY CO ELI 2011-01-26 CN disclosed
CN-101061106-B Glutamate receptor potentiators LILLY CO ELI 2010-09-29 CN disclosed
CN-101061106-A Glutamate receptor potentiators LILLY CO ELI (US) 2007-10-24 CN disclosed