SCHEMBL30375807

SCHEMBL30375807

CCCCCCCCCCCC[C@@H](O)[C@@]1(O)C(=O)C=C[C@@H]1O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDCD4 Q53EL6 7/20 0.40
▸ TRPA1 O75762 3/20 0.37
▸ NR4A2 P43354 2/20 0.37
▸ DAGLA Q9Y4D2 1/20 0.36
▸ TOP1 P11387 3/20 0.35
▸ GPR84 Q9NQS5 3/20 0.34
▸ FFAR1 O14842 1/20 0.34
▸ DNTT P04053 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ NR4A1 P22736 1/20 0.33
▸ PTPN7 P35236 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HIF1A Q16665 1/20 0.33

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
SCHEMBL18191881 1.00 PDCD4 (0.40) PDCD4TRPA1NR4A2DAGLATOP1
SCHEMBL6504100 0.79 PDCD4 (0.37) PDCD4TRPA1NR4A2DAGLATOP1
SCHEMBL6507566 0.68 DAGLA (0.34) NR4A2DAGLATOP1GPR84FFAR1
SCHEMBL11295412 0.62 GPR84 (0.35) GPR84FFAR1LMNAPOLB
SCHEMBL11295413 0.62 GPR84 (0.35) GPR84FFAR1LMNAPOLB
SCHEMBL28631358 0.57 GPR84 (0.56) GPR84FFAR1LMNA
SCHEMBL3175045 0.57 — —
SCHEMBL8363305 0.57 GPR84 (0.56) GPR84FFAR1LMNA
SCHEMBL6266008 0.57 GPR84 (0.50) GPR84FFAR1LMNAPOLB
SCHEMBL7868164 0.57 GPR84 (0.50) GPR84FFAR1LMNAPOLB

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
JP-2023053431-A NOVEL SYNTHETIC INTERMEDIATE OF HYGROPHORONE AND METHOD FOR PRODUCING HYGROPHORONE 株式会社コンポン研究所 2023-04-13 — — JP disclosed
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