SCHEMBL28575145

SCHEMBL28575145

O=C(CC(O)CCO)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.57
TSHR P16473 1/20 0.55
KMT2A Q03164 4/20 0.48
MAPT P10636 4/20 0.48
MEN1 O00255 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MAPK1 P28482 3/20 0.48
HPGD P15428 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
KDM4E B2RXH2 2/20 0.48
CYP3A4 P08684 1/20 0.48
ALOX15 P16050 1/20 0.48
CES1 P23141 1/20 0.48
ALDH1A1 P00352 5/20 0.47
NPC1 O15118 1/20 0.46
GSK3B P49841 2/20 0.45
PTPN1 P18031 2/20 0.45
TRPA1 O75762 1/20 0.45
HIF1A Q16665 1/20 0.45
L3MBTL1 Q9Y468 6/20 0.45

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
SCHEMBL6748613 0.84 TSHR (0.59) DPP4TSHRKMT2AMAPTMEN1
SCHEMBL19844055 0.83 DPP4 (0.55) DPP4TSHRKMT2AMAPTMEN1
SCHEMBL10420359 0.83 DPP4 (0.55) DPP4TSHRKMT2AMAPTMEN1
SCHEMBL28478583 0.83 DPP4 (0.64) DPP4MAPTHPGDTDP1KDM4E
SCHEMBL3098283 0.81 DPP4 (0.82) DPP4TSHRKMT2AMAPTMEN1
SCHEMBL7056679 0.81 DPP4 (0.82) DPP4TSHRKMT2AMAPTMEN1
SCHEMBL5193591 0.80 DPP4 (0.53) DPP4TSHRKMT2AMAPTMEN1
SCHEMBL6354344 0.80 TSHR (0.59) DPP4TSHRKMT2AMAPTMEN1
SCHEMBL8471030 0.79 GPR84 (0.56) DPP4TSHRKMT2AMEN1CES1
SCHEMBL11768086 0.78 TSHR (0.57) DPP4TSHRKMT2AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112939738-A Preparation method of 3, 5-dihydroxypentylbenzene 杭州凯方科技有限公司 2021-06-11 CN claimed
CN-114588131-B Microneedle preparation of cannabinoid and preparation method and application thereof 汉义生物科技(北京)有限公司 2024-03-08 CN disclosed