SCHEMBL9969645

SCHEMBL9969645

CCCN(C)CC=C(C)C

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SQLE Q14534 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
SCHEMBL26935949 0.86 S1PR2 (0.34) SQLE
SCHEMBL21163382 0.78 LSS (0.41) SQLE
SCHEMBL15901082 0.77 KDM4E (0.34)
SCHEMBL17512920 0.76 KDM5A (0.34)
SCHEMBL2984356 0.76
Hydrochloric Acid SCHEMBL28898248 0.75 KDM4E (0.33)
Hydrochloric Acid SCHEMBL22771839 0.75 KDM4E (0.33)
SCHEMBL29327496 0.74
SCHEMBL22693092 0.73 KDM4E (0.32)
SCHEMBL11685991 0.73 SIGMAR1 (0.30)

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
WO-2023096304-A1 ISOXAZOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF AND USE THEREOF 한양대학교 에리카산학협력단 2023-06-01 WO disclosed
WO-2012082580-A2 FUNGICIDAL AZOCYCLIC AMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-06-21 WO disclosed