SCHEMBL24616779

SCHEMBL24616779

O=C(O)/C=C/C(=O)OC1(c2cc(Cl)cc(Cl)c2)CCC1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 4/20 0.37
▸ CCR2 P41597 1/20 0.31
▸ TPMT P51580 1/20 0.31
▸ RAB9A P51151 1/20 0.30
▸ AKR1C3 P42330 1/20 0.30
▸ AKR1C2 P52895 1/20 0.30
▸ AKR1C1 Q04828 1/20 0.30

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
SCHEMBL29398715 0.85 FFAR4 (0.36) HCAR2
SCHEMBL24616769 0.85 FFAR4 (0.36) HCAR2
SCHEMBL24616793 0.85 HSD11B1 (0.38) HCAR2CCR2
SCHEMBL24616741 0.85 HCAR2 (0.32) HCAR2
SCHEMBL24616777 0.81 HCAR2 (0.33) HCAR2
SCHEMBL24616699 0.80 HCAR2 (0.36) HCAR2
SCHEMBL24394123 0.80 CCR2 (0.32) CCR2
SCHEMBL29588392 0.80 CCR2 (0.32) CCR2
SCHEMBL24616796 0.77 AKR1C3 (0.31) HCAR2AKR1C3AKR1C2AKR1C1
SCHEMBL24616690 0.77 ALDH1A1 (0.38) HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022038365-A9 FUMARATE DERIVATIVES AND THEIR MEDICAL USE SITRYX THERAPEUTICS LIMITED (GB) 2022-07-14 — — WO claimed
WO-2022038365-A9 FUMARATE DERIVATIVES AND THEIR MEDICAL USE SITRYX THERAPEUTICS LIMITED (GB) 2022-07-14 — — WO disclosed
WO-2022038365-A9 FUMARATE DERIVATIVES AND THEIR MEDICAL USE SITRYX THERAPEUTICS LIMITED (GB) 2022-07-14 — — WO disclosed
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