SCHEMBL31490487

SCHEMBL31490487

C[C@]12C(=O)OC(=O)[C@H]1[C@H]1C=C[C@@H]2C1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 2/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.39
GAA P10253 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
SCHEMBL3112271 1.00 KDM4E (0.43) KDM4ETDP1POLBL3MBTL1ALDH1A1
SCHEMBL195658 1.00 KDM4E (0.43) KDM4ETDP1POLBL3MBTL1ALDH1A1
SCHEMBL10338131 1.00 KDM4E (0.43) KDM4ETDP1POLBL3MBTL1ALDH1A1
SCHEMBL15726659 1.00 KDM4E (0.43) KDM4ETDP1POLBL3MBTL1ALDH1A1
Phthalic Anhydride SCHEMBL18393931 0.88 TDP1 (0.41) KDM4ETDP1POLBL3MBTL1ALDH1A1
SCHEMBL12891377 0.85 KDM4E (0.40) KDM4ETDP1POLBL3MBTL1ALDH1A1
SCHEMBL20171638 0.84 TP53 (0.32) KDM4ETDP1
SCHEMBL12359375 0.84 TP53 (0.32) KDM4ETDP1
SCHEMBL6661182 0.79 TDP1 (0.31) KDM4ETDP1POLBL3MBTL1ALDH1A1
SCHEMBL4628274 0.75 KDM4E (0.31) KDM4ETDP1POLBL3MBTL1

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
US-20250075147-A1 FRAGRANCE AND FLAVOR COMPOSITIONS COMPRISING NEW FLAVOR AND FRAGRANCE INGREDIENTS OSMO LABS, PBC 2025-03-06 US claimed