SCHEMBL31443911

SCHEMBL31443911

COC(=O)c1cc(Br)cc(OCC(=O)OC(C)(C)C)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.39
▸ HPGD P15428 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ DDB1 Q16531 1/20 0.36
▸ CRBN Q96SW2 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ MTNR1A P48039 3/20 0.36
▸ MTNR1B P49286 3/20 0.36
▸ LMNA P02545 1/20 0.35

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
SCHEMBL30938988 0.85 ALDH1A1 (0.36) ALDH1A1HPGDKDM4EHSD17B10POLB
SCHEMBL24744882 0.85 ALDH1A1 (0.37) ALDH1A1HPGDKDM4EHSD17B10POLB
SCHEMBL30122007 0.85 ALDH1A1 (0.37) ALDH1A1HPGDKDM4EHSD17B10POLB
SCHEMBL31426305 0.83 PTGDR2 (0.50) ALDH1A1HPGDHSD17B10POLBMAPK1
SCHEMBL18703867 0.78 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EHSD17B10POLB
SCHEMBL12957471 0.76 KDM4E (0.47) ALDH1A1HPGDKDM4EHSD17B10POLB
SCHEMBL31417734 0.75 OPRK1 (0.34) ALDH1A1HPGDKDM4EHSD17B10MAPK1
SCHEMBL31417728 0.75 OPRK1 (0.34) ALDH1A1HPGDKDM4EHSD17B10MAPK1
SCHEMBL24745568 0.74 HPGD (0.39) ALDH1A1HPGDKDM4EHSD17B10POLB
SCHEMBL31425872 0.74 ALDH1A1 (0.52) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A

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-2025096856-A1 COVALENT CEREBLON LIGANDS C4 THERAPEUTICS, INC. (US) 2025-05-08 — — WO disclosed
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