SCHEMBL30940607

SCHEMBL30940607

C1=CCC(c2ccccc2)(c2cccc(-c3ccccc3)c2)C=C1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CCR2 P41597 1/20 0.33
MAOA P21397 1/20 0.33
BACE1 P56817 1/20 0.32
MGLL Q99685 1/20 0.31
ACMSD Q8TDX5 1/20 0.30
HSD11B1 P28845 1/20 0.30
KMO O15229 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30

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
Biphenyl SCHEMBL28885424 0.91 ALDH1A1 (0.36) SLC6A2SLC6A4SLC6A3ALDH1A1HDAC4
SCHEMBL2283117 0.86 HDAC4 (0.34) MAOAHDAC4
Ethylene SCHEMBL27402897 0.82 HDAC4 (0.32) HDAC4
SCHEMBL30037696 0.79 AXL (0.31)
SCHEMBL30663214 0.76 KDM1A (0.36) MAOAALDH1A1HDAC4
SCHEMBL19873101 0.73
SCHEMBL4630348 0.72 GRIN2B (0.33) ALDH1A1
SCHEMBL11881975 0.71
SCHEMBL30907080 0.70 ESR1 (0.36)
SCHEMBL28088792 0.70 HDAC4 (0.31) HDAC4HDAC2HDAC8

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
CN-118084921-A Organic compound and application thereof 武汉天马微电子有限公司上海分公司 2024-05-28 CN disclosed