SCHEMBL38651019

SCHEMBL38651019

CCC(C)CCCCC[C@H]1C=CC(=O)O1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDCD4 Q53EL6 7/20 0.38
▸ XPO1 O14980 1/20 0.35
▸ DAGLA Q9Y4D2 1/20 0.31
▸ CES2 O00748 1/20 0.31
▸ TRPA1 O75762 2/20 0.30
▸ NR4A2 P43354 2/20 0.30
▸ CYP1A2 P05177 2/20 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
SCHEMBL16431359 1.00 PDCD4 (0.38) PDCD4XPO1DAGLACES2TRPA1
SCHEMBL9991171 0.86 PDCD4 (0.37) PDCD4XPO1DAGLA
SCHEMBL8985124 0.80 PDCD4 (0.43) PDCD4CES2CYP1A2
SCHEMBL1895638 0.80 PDCD4 (0.43) PDCD4CES2CYP1A2
SCHEMBL3663425 0.80 PDCD4 (0.43) PDCD4CES2CYP1A2
SCHEMBL12673923 0.80 PDCD4 (0.43) PDCD4CES2CYP1A2
SCHEMBL2315807 0.80 PDCD4 (0.43) PDCD4CES2CYP1A2
SCHEMBL9991197 0.79 PDCD4 (0.36) PDCD4XPO1DAGLATRPA1NR4A2
SCHEMBL3505080 0.79 PDCD4 (0.40) PDCD4CES2CYP1A2
SCHEMBL9993726 0.77 PDCD4 (0.38) PDCD4CES2CYP1A2

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-122012421-A Flavin dependent oxidase SavA and application thereof in asymmetric synthesis of 4-alkyl butenolide 中国科学院微生物研究所 2026-05-12 — — CN claimed
CN-122012421-A Flavin dependent oxidase SavA and application thereof in asymmetric synthesis of 4-alkyl butenolide 中国科学院微生物研究所 2026-05-12 — — CN disclosed
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