SCHEMBL30954057

SCHEMBL30954057

COc1ccc(CCN2CCOc3c2cc(Cl)c(OC)c3C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
FKBP1A P62942 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
ALDH1A1 P00352 4/20 0.38
KCNA3 P22001 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
RORC P51449 2/20 0.37
KCNJ1 P48048 1/20 0.36
KCNH2 Q12809 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CCR2 P41597 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL27434671 1.00 TP53 (0.40) TP53FKBP1ASIGMAR1ALDH1A1KCNA3
SCHEMBL27435374 0.92 KCNA3 (0.43) TP53ALDH1A1KCNA3KDM4EHSD17B10
SCHEMBL30954054 0.92 KCNA3 (0.43) TP53ALDH1A1KCNA3KDM4EHSD17B10
SCHEMBL27434651 0.91 TP53 (0.41) TP53FKBP1ASIGMAR1ALDH1A1RORC
SCHEMBL27435254 0.91 TP53 (0.42) TP53ALDH1A1KDM4EHSD17B10CCR2
SCHEMBL30954067 0.91 TP53 (0.42) TP53ALDH1A1KDM4EHSD17B10CCR2
SCHEMBL27433820 0.86 KDM4E (0.34) ALDH1A1KCNA3RORCKDM4EHSD17B10
SCHEMBL30954055 0.86 KDM4E (0.34) ALDH1A1KCNA3RORCKDM4EHSD17B10
SCHEMBL27435364 0.84 KCNA3 (0.42) ALDH1A1KCNA3KDM4E
SCHEMBL27435528 0.83 KCNA3 (0.41) TP53ALDH1A1KCNA3KDM4EHSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4630412-A1 COMPOUNDS FOR THE TREATMENT OF NEUROMUSCULAR DISORDERS NMD Pharma A/S (DK) 2025-10-15 EP claimed
WO-2024121130-A1 COMPOUNDS FOR THE TREATMENT OF NEUROMUSCULAR DISORDERS NMD PHARMA A/S (DK) 2024-06-13 WO claimed
EP-4630412-A1 COMPOUNDS FOR THE TREATMENT OF NEUROMUSCULAR DISORDERS NMD Pharma A/S (DK) 2025-10-15 EP disclosed
WO-2024121130-A1 COMPOUNDS FOR THE TREATMENT OF NEUROMUSCULAR DISORDERS NMD PHARMA A/S (DK) 2024-06-13 WO disclosed