SCHEMBL31294840

SCHEMBL31294840

CC1(C)OB(c2ccc(OCCCCOCc3ccccc3)nc2)OC1(C)C

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.56
LIPG Q9Y5X9 8/20 0.40
LPL P06858 7/20 0.40
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
REN P00797 1/20 0.36
FAAH O00519 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 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
SCHEMBL3515052 0.98 DGAT1 (0.56) DGAT1LIPGLPLTDP1L3MBTL1
SCHEMBL2067941 0.94 DGAT1 (0.57) DGAT1LIPGLPLKEAP1NFE2L2
SCHEMBL20120561 0.93 DGAT1 (0.56) DGAT1LIPGLPLKEAP1NFE2L2
SCHEMBL1180731 0.87 DGAT1 (0.66) DGAT1LIPGLPL
SCHEMBL29986429 0.87 DGAT1 (0.66) DGAT1LIPGLPL
SCHEMBL20294856 0.81 DGAT1 (0.55) DGAT1LIPGLPLTDP1L3MBTL1
SCHEMBL10224532 0.79 DGAT1 (0.55) DGAT1LIPGLPL
SCHEMBL22534190 0.79 DGAT1 (0.50) DGAT1LIPGLPL
SCHEMBL19794893 0.79 DGAT1 (0.53) DGAT1LIPGLPL
SCHEMBL21327400 0.78 DGAT1 (0.57) DGAT1LIPGLPL

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
EP-4722206-A1 BENZO(HETERO)CYCLOALKYL COMPOUNDS FOR ANDROGEN RECEPTOR-DEPENDENT DISEASES Haihe Biopharma Co., Ltd. (CN) 2026-04-08 EP disclosed
WO-2024245408-A1 BENZO(HETERO)CYCLOALKYL COMPOUNDS FOR ANDROGEN RECEPTOR-DEPENDENT DISEASES 上海海和药物研究开发股份有限公司 2024-12-05 WO disclosed