SCHEMBL27587769

SCHEMBL27587769

O=C(O)CCCn1ccc2cc(O)ccc21

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.50
EPHX2 P34913 1/20 0.50
KMO O15229 1/20 0.48
FFAR4 Q5NUL3 1/20 0.47
MCL1 Q07820 2/20 0.46
PLG P00747 1/20 0.46
PLAU P00749 1/20 0.46
OXER1 Q8TDS5 1/20 0.45
ESRRG P62508 2/20 0.42
ITGB3 P05106 1/20 0.42
ITGAV P06756 1/20 0.42
ITGB5 P18084 1/20 0.42
ACLY P53396 2/20 0.41
CDK4 P11802 2/20 0.41
CCND1 P24385 2/20 0.41

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
SCHEMBL416378 0.84 ALOX5 (0.49) ALOX5EPHX2KMOFFAR4MCL1
SCHEMBL416786 0.84 KMO (0.65) ALOX5EPHX2KMOFFAR4MCL1
SCHEMBL418370 0.84 P2RX7 (0.50) ALOX5EPHX2KMOFFAR4MCL1
SCHEMBL4466329 0.81 TNF (0.60) ALOX5EPHX2MCL1
SCHEMBL4234811 0.81 KMT2A (0.62) ITGB3
SCHEMBL30103437 0.81 KMT2A (0.62) ITGB3
SCHEMBL413159 0.80 FFAR4 (0.55) ALOX5EPHX2KMOFFAR4MCL1
SCHEMBL14274534 0.80 PLG (0.49) MCL1PLGPLAUESRRGCDK4
SCHEMBL1967792 0.80 CDK4 (0.68) KMOCDK4CCND1
SCHEMBL29560163 0.80 CDK4 (0.68) KMOCDK4CCND1

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
CN-1558897-A oral antidiabetic agent ����-�����ع�˾ 2004-12-29 CN disclosed