SCHEMBL29705602

SCHEMBL29705602

O=C(O)C1CCOC(c2cccc(OCC3CCOCC3)c2)C1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.40
RORC P51449 1/20 0.40
CYP2D6 P10635 2/20 0.39
SLC16A3 O15427 1/20 0.38
SLC16A1 P53985 1/20 0.38
MCTS1 Q9ULC4 1/20 0.38
FFAR1 O14842 3/20 0.38
NR1H4 Q96RI1 2/20 0.38
ITGB2 P05107 1/20 0.37
ICAM1 P05362 1/20 0.37
ITGAL P20701 1/20 0.37
ATXN2 Q99700 1/20 0.37
FFAR4 Q5NUL3 2/20 0.36
KDM4C Q9H3R0 1/20 0.36
PTGER1 P34995 1/20 0.35
CHRM3 P20309 1/20 0.35
TP53 P04637 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
SCHEMBL29705686 0.94 GRM5 (0.38) SLC2A1RORCFFAR1NR1H4TP53
SCHEMBL29705700 0.92 SIRT2 (0.41) FFAR1NR1H4
SCHEMBL29705548 0.91 SIRT2 (0.42)
SCHEMBL29705630 0.86 ACACB (0.41) RORCFFAR4
SCHEMBL29705653 0.83 FFAR1 (0.43) SLC2A1FFAR1NR1H4KDM4C
SCHEMBL29705739 0.83 GRM5 (0.41) SLC2A1FFAR1
SCHEMBL29705691 0.81 DRD2 (0.41) FFAR1
SCHEMBL29705719 0.81 ADAM17 (0.43) SLC2A1FFAR1
SCHEMBL29705670 0.81 ACACB (0.42) FFAR1
SCHEMBL29705762 0.77 PARP10 (0.49) FFAR1FFAR4

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