SCHEMBL29270941

SCHEMBL29270941

CC(O)c1ccc(OC2C[C@H]2C(=O)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 10/20 0.39
▸ ACACB O00763 5/20 0.37
▸ KMT2A Q03164 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ FFAR1 O14842 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
SCHEMBL29270939 1.00 FFAR4 (0.39) FFAR4ACACBKMT2AALDH1A1TSHR
SCHEMBL23040148 1.00 FFAR4 (0.39) FFAR4ACACBKMT2AALDH1A1TSHR
SCHEMBL23039953 0.86 FFAR4 (0.38) FFAR4ACACBKMT2AALDH1A1TSHR
SCHEMBL23040236 0.86 FFAR4 (0.38) FFAR4ACACBKMT2AALDH1A1TSHR
SCHEMBL23055156 0.81 DGKZ (0.43) ACACBKMT2A
SCHEMBL27878721 0.78 FFAR4 (0.44) FFAR4KMT2AFFAR1
SCHEMBL23182928 0.77 ALDH1A1 (0.44) FFAR4KMT2AALDH1A1
SCHEMBL24658820 0.77 RXRA (0.39) FFAR4ALDH1A1TSHRFFAR1
SCHEMBL23039979 0.74 ALDH1A1 (0.47) FFAR4KMT2AALDH1A1
SCHEMBL28750680 0.74 ALDH1A1 (0.47) FFAR4KMT2AALDH1A1

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-114302884-B Substituted pyridopyrimidinone compounds useful as T cell activators 百时美施贵宝公司 2024-06-04 — — CN disclosed
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