SCHEMBL29213005

SCHEMBL29213005

COc1ccc(-c2coc(-c3ccccc3)c2-c2ccco2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.45
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
KDM4E B2RXH2 6/20 0.42
MAPT P10636 5/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ABL1 P00519 1/20 0.42
ABCB1 P08183 1/20 0.42
BCR P11274 1/20 0.42
HTT P42858 1/20 0.41
GAA P10253 1/20 0.41
BACE1 P56817 1/20 0.41
ALDH1A1 P00352 5/20 0.41
HPGD P15428 5/20 0.41
RAB9A P51151 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 4/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 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
SCHEMBL28879182 0.76 ABL1 (0.61) ADORA2AADORA1KDM4EMAPTMEN1
SCHEMBL30451695 0.74 ABL1 (0.48) ADORA2AADORA1KDM4EMAPTMEN1
SCHEMBL3685934 0.74 TAAR1 (0.55) ADORA2AADORA1KDM4EMAPTMEN1
SCHEMBL28970805 0.74 ADORA2A (0.48) ADORA2AADORA1KDM4EMAPTMEN1
SCHEMBL29213065 0.74 PIN1 (0.40) PIN1KDM4EMAPTMEN1KMT2A
SCHEMBL29212995 0.73 ENPP3 (0.41) PIN1KDM4EMAPTMEN1KMT2A
SCHEMBL24818258 0.70 ALDH1A1 (0.40) PIN1KDM4EMAPTHTTBACE1
SCHEMBL11317934 0.68 NPC1 (0.54) PIN1KDM4EMAPTABL1ABCB1
SCHEMBL11819228 0.68 ABL1 (0.73) KDM4EMAPTABL1ABCB1BCR
SCHEMBL13777345 0.68 PIN1 (0.48) PIN1KDM4EMAPTMEN1KMT2A

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-115073401-B 2,3 '-bisfuran compound, 2,3' -oligomeric furan compound, and preparation methods and applications thereof 华南理工大学 2023-07-14 CN disclosed