SCHEMBL24616793

SCHEMBL24616793

O=C(O)/C=C/C(=O)OC1(c2ccc(Cl)cc2)CCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 6/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ CCR2 P41597 1/20 0.37
▸ HCAR2 Q8TDS4 1/20 0.37
▸ TAAR1 Q96RJ0 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ TET3 O43151 1/20 0.35
▸ FBXL19 Q6PCT2 1/20 0.35
▸ CXXC5 Q7LFL8 1/20 0.35
▸ KDM2B Q8NHM5 1/20 0.35
▸ CXXC4 Q9H2H0 1/20 0.35
▸ KDM2A Q9Y2K7 1/20 0.35
▸ DRD2 P14416 7/20 0.35
▸ DRD4 P21917 6/20 0.34
▸ DRD3 P35462 6/20 0.34

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
SCHEMBL24616690 0.85 ALDH1A1 (0.38) HCAR2KMT2AMEN1ALDH1A1MAPT
SCHEMBL24616779 0.85 HCAR2 (0.37) CCR2HCAR2
SCHEMBL24616798 0.83 HCAR2 (0.36) HCAR2ALDH1A1
SCHEMBL24616758 0.82 APP (0.37) KMT2AMEN1ALDH1A1THRB
SCHEMBL24616687 0.82 CA1 (0.35) HCAR2ALDH1A1MAPTL3MBTL1
SCHEMBL24616776 0.80 ALDH1A1 (0.36) HCAR2KMT2AMEN1ALDH1A1MAPT
SCHEMBL24616783 0.80 KMT2A (0.48) KMT2AALDH1A1THRB
SCHEMBL24616741 0.79 HCAR2 (0.32) HCAR2
SCHEMBL24616696 0.79 SLC6A2 (0.35) CCR2HCAR2
SCHEMBL29395638 0.79 SLC6A2 (0.35) CCR2HCAR2

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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