SCHEMBL27705284

SCHEMBL27705284

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

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.56
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
HIF1A Q16665 1/20 0.46
ANPEP P15144 1/20 0.46
ENPEP Q07075 1/20 0.46
AKR1C3 P42330 1/20 0.46
MEP1B Q16820 2/20 0.45
KMT2A Q03164 1/20 0.45
DAO P14920 1/20 0.45
NR4A2 P43354 1/20 0.45
CA9 Q16790 1/20 0.44
MEP1A Q16819 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44

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
SCHEMBL27705268 0.91 FOLH1 (0.58) FOLH1CA1CA2CYP2D6CYP2C9
SCHEMBL1541757 0.87 FOLH1 (0.61) FOLH1CA1CA2CYP2D6CYP2C9
SCHEMBL1296456 0.87 FOLH1 (0.61) FOLH1CA1CA2CYP2D6CYP2C9
SCHEMBL30395109 0.87 FOLH1 (0.66) FOLH1CYP2D6CYP2C9HIF1AANPEP
SCHEMBL1817886 0.87 FOLH1 (0.66) FOLH1CYP2D6CYP2C9HIF1AANPEP
SCHEMBL1421808 0.87 FOLH1 (0.66) FOLH1CA1CA2CYP2D6CYP2C9
SCHEMBL371526 0.87 FOLH1 (0.70) FOLH1CA1CA2CYP2D6CYP2C9
SCHEMBL27686300 0.86 HDAC1 (0.46) FOLH1KMT2ADAO
Hydrochloric Acid SCHEMBL7138106 0.86 FOLH1 (0.59) FOLH1CA1CA2CYP2D6CYP2C9
SCHEMBL27705270 0.84 FOLH1 (0.58) FOLH1CA1CA2CYP2D6CYP2C9

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