SCHEMBL29036149

SCHEMBL29036149

CC1(c2ccc(I)cc2)CCCC1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.38
ESR1 P03372 4/20 0.33
ESR2 Q92731 4/20 0.33
HSD11B1 P28845 1/20 0.33
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL25245033 0.90 OPRM1 (0.40) OPRM1HSD11B1
SCHEMBL10602015 0.85 ESR1 (0.42) ESR1ESR2ALDH1A1L3MBTL1
SCHEMBL11800829 0.78 KMT2A (0.42) OPRM1ESR1ESR2HSD11B1
SCHEMBL2737147 0.76 SLC6A3 (0.50) HSD11B1
SCHEMBL4987796 0.76 KMT2A (0.41) ESR1ESR2HSD11B1ALDH1A1L3MBTL1
SCHEMBL29119961 0.76 TAAR1 (0.43) OPRM1ESR1ESR2ALDH1A1L3MBTL1
SCHEMBL10342095 0.76 ALDH1A1 (0.58) ALDH1A1L3MBTL1
SCHEMBL13361601 0.76 SLC6A3 (0.48) HSD11B1
SCHEMBL5241008 0.76 ESR2 (0.60) OPRM1ESR1ESR2ALDH1A1
SCHEMBL43078 0.75 DPP4 (0.46) OPRM1

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
CN-116462700-A Compound of electron blocking layer for blue phosphorescence organic electroluminescent device 阜阳欣奕华材料科技有限公司 2023-07-21 CN disclosed
CN-116462699-A Compound containing triphenylsilane and used for electron blocking layer of blue phosphorescence organic electroluminescent device 阜阳欣奕华材料科技有限公司 2023-07-21 CN disclosed