SCHEMBL29705686

SCHEMBL29705686

O=C(O)C1CCOC(c2cccc(OC[C@H]3CCOC3)c2)C1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.38
FFAR1 O14842 5/20 0.38
XDH P47989 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
SLC2A1 P11166 1/20 0.35
MCHR1 Q99705 1/20 0.35
GRM4 Q14833 4/20 0.35
RORC P51449 1/20 0.35
TRIM24 O15164 1/20 0.35
USP1 O94782 1/20 0.35
NR1H4 Q96RI1 1/20 0.35

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
SCHEMBL29705602 0.94 SLC2A1 (0.40) FFAR1TP53SLC2A1RORCNR1H4
SCHEMBL29705739 0.89 GRM5 (0.41) GRM5FFAR1SLC2A1GRM4TRIM24
SCHEMBL29705700 0.88 SIRT2 (0.41) FFAR1NR1H4
SCHEMBL29705548 0.87 SIRT2 (0.42)
SCHEMBL29705630 0.80 ACACB (0.41) MCHR1RORC
SCHEMBL29705691 0.80 DRD2 (0.41) FFAR1ALDH1A1SMN1; SMN2
SCHEMBL29705670 0.79 ACACB (0.42) FFAR1ALDH1A1SMN1; SMN2
SCHEMBL29705653 0.79 FFAR1 (0.43) FFAR1SLC2A1NR1H4
SCHEMBL29705719 0.77 ADAM17 (0.43) FFAR1SLC2A1
SCHEMBL28323610 0.75 NR1H4 (0.58) GRM5XDHCYP3A4NR1H4

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