SCHEMBL31181965

SCHEMBL31181965

O=C(O)[C@H]1[C@@H]2CCCO[C@@H]21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.38
▸ LMNA P02545 3/20 0.38
▸ TFPI2 P48307 3/20 0.38
▸ TSHR P16473 2/20 0.38
▸ GMNN O75496 1/20 0.38
▸ PMP22 Q01453 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ THPO P40225 1/20 0.38
▸ POLB P06746 4/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ TDP1 Q9NUW8 2/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GRM8 O00222 1/20 0.32
▸ GRM6 O15303 1/20 0.32
▸ GRM2 Q14416 1/20 0.32
▸ GRM3 Q14832 1/20 0.32
▸ GRM4 Q14833 1/20 0.32
▸ USP2 O75604 1/20 0.31

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
SCHEMBL3464541 1.00 KDM4E (0.38) KDM4ELMNATFPI2TSHRGMNN
SCHEMBL8763778 0.86 — —
SCHEMBL8473651 0.86 — —
SCHEMBL29939170 0.86 — —
SCHEMBL31181966 0.81 NOS2 (0.38) LMNAPOLBUSP2SMN1; SMN2
SCHEMBL4641221 0.81 NOS2 (0.38) LMNAPOLBUSP2SMN1; SMN2
SCHEMBL32677616 0.79 KDM4E (0.35) KDM4ELMNATFPI2TSHRGMNN
SCHEMBL31181970 0.72 PPM1B (0.45) KDM4ELMNATSHRTP53POLB
SCHEMBL31189120 0.72 PPM1B (0.45) KDM4ELMNATSHRTP53POLB
SCHEMBL3464630 0.71 TSHR (0.42) KDM4ELMNATFPI2TSHRGMNN

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
EP-4665152-A1 PESTICIDALLY ACTIVE BICYCLIC COMPOUNDS Syngenta Crop Protection AG (CH) 2025-12-24 — — EP disclosed
WO-2024170339-A1 PESTICIDALLY ACTIVE BICYCLIC COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2024-08-22 — — WO disclosed
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