SCHEMBL29705653

SCHEMBL29705653

COC(=O)C1CCOC(c2cccc(OCC3CC3)c2)C1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.43
ACACA Q13085 6/20 0.41
ACACB O00763 4/20 0.41
NR1H4 Q96RI1 2/20 0.40
HPGD P15428 1/20 0.39
ADAM17 P78536 1/20 0.38
MTNR1A P48039 1/20 0.37
SLC2A1 P11166 1/20 0.36
KDM5A P29375 1/20 0.36
KDM4C Q9H3R0 1/20 0.36

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
SCHEMBL29705719 0.96 ADAM17 (0.43) FFAR1ACACAACACBADAM17SLC2A1
SCHEMBL29705739 0.91 GRM5 (0.41) FFAR1ACACAACACBSLC2A1
SCHEMBL29705710 0.85 DRD2 (0.41) HPGD
SCHEMBL29705700 0.83 SIRT2 (0.41) FFAR1ACACAACACBNR1H4ADAM17
SCHEMBL29705548 0.83 SIRT2 (0.42) ADAM17
SCHEMBL29705602 0.83 SLC2A1 (0.40) FFAR1NR1H4SLC2A1KDM4C
SCHEMBL29705541 0.80 PARP10 (0.38) ADAM17SLC2A1
SCHEMBL29705686 0.79 GRM5 (0.38) FFAR1NR1H4SLC2A1
SCHEMBL29705691 0.72 DRD2 (0.41) FFAR1
SCHEMBL29705670 0.72 ACACB (0.42) FFAR1ACACAACACB

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-114555573-A Prostaglandin E2(PGE2)EP4Receptor antagonists 多曼治疗学公司 2022-05-27 CN disclosed