SCHEMBL29199442

SCHEMBL29199442

C=CCC1(C(=O)OC)COCCC1=O

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 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
SCHEMBL29199441 1.00 KDM4E (0.33) KDM4ELMNAPOLB
SCHEMBL26694507 0.85 KDM4E (0.32) KDM4ELMNAPOLB
SCHEMBL9732373 0.78 CYP2C19 (0.34) KDM4EPOLB
SCHEMBL26694506 0.72
SCHEMBL20980106 0.71
SCHEMBL6928358 0.71 NPC1 (0.32) KDM4E
SCHEMBL3865599 0.70 SMN1; SMN2 (0.35)
SCHEMBL18367224 0.70 CYP4F2 (0.34)
SCHEMBL356582 0.68 CYP4F2 (0.34) LMNA
SCHEMBL34475902 0.68 CYP4F2 (0.39)

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
CN-117946135-A Heterocyclic compound, pharmaceutical composition and application thereof 上海湃隆生物科技有限公司 2024-04-30 CN disclosed