SCHEMBL28942387

SCHEMBL28942387

C=C(C)C1CCC(C(=O)O)C(C(=O)O)C1C(=C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC1A2 P43004 4/20 0.39
▸ LMNA P02545 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ THPO P40225 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ GRIK1 P39086 1/20 0.39
▸ GRM5 P41594 1/20 0.39
▸ GRIA1 P42261 1/20 0.39
▸ GRIA2 P42262 1/20 0.39
▸ GRIA3 P42263 1/20 0.39
▸ GRIA4 P48058 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ GRIK2 Q13002 1/20 0.39
▸ GRIK3 Q13003 1/20 0.39
▸ GRIK4 Q16099 1/20 0.39
▸ GRIK5 Q16478 1/20 0.39

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
SCHEMBL5362897 0.79 CES2 (0.44) SLC1A2LMNAMEN1KMT2AALDH1A1
SCHEMBL9782998 0.79 GABRR1 (0.50) SLC1A2LMNAMEN1KMT2ATSHR
SCHEMBL722221 0.79 GABRR1 (0.50) SLC1A2LMNAMEN1KMT2ATSHR
Acetic Acid SCHEMBL7138694 0.77 POLB (0.46) SLC1A2LMNAALDH1A1TSHRTHPO
SCHEMBL9494071 0.74 GABRR1 (0.46) SLC1A2LMNAMEN1KMT2ATSHR
SCHEMBL1963237 0.74 GABRR1 (0.50) SLC1A2LMNAMEN1KMT2ATSHR
Acetic Acid SCHEMBL6723787 0.72 GABRR1 (0.43) LMNAALDH1A1TSHRTHPOPOLB
SCHEMBL3238581 0.71 PPP5C (0.45) SLC1A2LMNAALDH1A1TSHRTHPO
SCHEMBL16412279 0.71 EPHX1 (0.39) SLC1A2LMNAMEN1KMT2AALDH1A1
SCHEMBL10517501 0.71 EPHX1 (0.39) SLC1A2LMNAMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115656393-B Method for simultaneously detecting contents of multiple plastic additives in vegetables 安徽医科大学 2023-04-11 — — CN disclosed
CN-115656393-A Method for simultaneously detecting contents of multiple plastic additives in vegetables 安徽医科大学 2023-01-31 — — CN disclosed
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