SCHEMBL27705270

SCHEMBL27705270

O=C(O)c1cccc(CCc2ccc(CO)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 1/20 0.54
TP53 P04637 1/20 0.54
MAPT P10636 1/20 0.54
XBP1 P17861 1/20 0.54
HTT P42858 1/20 0.54
RAB9A P51151 1/20 0.54
HSD17B10 Q99714 1/20 0.54
TSHR P16473 1/20 0.49
DHODH Q02127 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
HIF1A Q16665 1/20 0.47
ANPEP P15144 1/20 0.47
ENPEP Q07075 1/20 0.47
AKR1C3 P42330 1/20 0.47
MEP1B Q16820 1/20 0.46

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
SCHEMBL27705266 0.91 FOLH1 (0.59) FOLH1SMN1; SMN2NPC1TP53MAPT
SCHEMBL1296456 0.89 FOLH1 (0.61) FOLH1CA1CA2CYP2D6CYP2C9
SCHEMBL1817886 0.89 FOLH1 (0.66) FOLH1CYP2D6CYP2C9HIF1AANPEP
SCHEMBL30395109 0.89 FOLH1 (0.66) FOLH1CYP2D6CYP2C9HIF1AANPEP
SCHEMBL371526 0.89 FOLH1 (0.70) FOLH1CA1CA2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL7138106 0.87 FOLH1 (0.59) FOLH1CA1CA2CYP2D6CYP2C9
SCHEMBL129182 0.87 FOLH1 (0.68) FOLH1SMN1; SMN2NPC1TP53MAPT
SCHEMBL27705274 0.86 SMN1; SMN2 (0.60) FOLH1SMN1; SMN2NPC1TP53MAPT
Isophthalic Acid SCHEMBL7568507 0.85 FOLH1 (0.60) FOLH1SMN1; SMN2NPC1TP53MAPT
Water SCHEMBL7811295 0.85 FOLH1 (0.66) FOLH1SMN1; SMN2NPC1TP53MAPT

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