SCHEMBL30720976

SCHEMBL30720976

CC(=O)CCC(=O)OC1CCOC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.37
PDE4D Q08499 12/20 0.36
PDE4A P27815 6/20 0.36
PDE4B Q07343 6/20 0.36
PDE4C Q08493 6/20 0.36
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
CTSL P07711 1/20 0.33
TSHR P16473 1/20 0.32

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
SCHEMBL29830733 0.84 PDE4D (0.45) NAAAPDE4DPDE4APDE4BPDE4C
SCHEMBL17517935 0.81 CTSL (0.36) NAAAPDE4DPDE4APDE4BPDE4C
SCHEMBL25399653 0.81 NAAA (0.34) NAAAPDE4DPDE4APDE4BPDE4C
SCHEMBL8230175 0.80 PDE4D (0.38) NAAAPDE4DPDE4APDE4BPDE4C
SCHEMBL13351589 0.80 PDE4D (0.38) NAAAPDE4DPDE4APDE4BPDE4C
SCHEMBL13351557 0.80 PDE4D (0.38) NAAAPDE4DPDE4APDE4BPDE4C
SCHEMBL22857739 0.79 NAAA (0.64) NAAAPDE4DPDE4APDE4BPDE4C
SCHEMBL29830900 0.79 NAAA (0.64) NAAAPDE4DPDE4APDE4BPDE4C
SCHEMBL28966316 0.79 NAAA (0.64) NAAAPDE4DPDE4APDE4BPDE4C
SCHEMBL29830580 0.79 NAAA (0.64) NAAAPDE4DPDE4APDE4BPDE4C

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
WO-2024024935-A1 NOVEL METHOD FOR PRODUCING ANTIBODY-DRUG CONJUGATE HAVING ANTINEOPLASTIC EFFECT 第一三共株式会社 2024-02-01 WO disclosed