SCHEMBL25214920

SCHEMBL25214920

CCCCOP(c1ccc(C)cc1)c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
MITF O75030 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DRD2 P14416 3/20 0.36
DRD4 P21917 3/20 0.36
DRD3 P35462 3/20 0.36
PLA2G2C Q5R387 1/20 0.35
HTT P42858 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LTA4H P09960 2/20 0.33
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
ACHE P22303 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 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
SCHEMBL30437039 0.88 ACHE (0.35) LMNAMITFALDH1A1SMN1; SMN2DRD2
SCHEMBL6867839 0.84 LMNA (0.40) LMNAMITFALDH1A1SMN1; SMN2DRD2
SCHEMBL28441397 0.82 CA12 (0.42) LTA4HACHE
SCHEMBL29193745 0.82 CNR2 (0.37) LMNAMITFALDH1A1SMN1; SMN2MEN1
SCHEMBL1726701 0.82 LTA4H (0.47) ALDH1A1MEN1KMT2ALTA4HCYP1A2
SCHEMBL25197413 0.81 ALDH1A1 (0.32) LMNAALDH1A1DRD2DRD4DRD3
SCHEMBL29193871 0.79 ACHE (0.38) LMNAMITFALDH1A1SMN1; SMN2DRD2
SCHEMBL28452610 0.79 NR5A1 (0.41) LTA4HNR5A1
SCHEMBL10709571 0.79 ACHE (0.38) LMNAALDH1A1SMN1; SMN2HTTMEN1
SCHEMBL1726193 0.76 LTA4H (0.47) LMNAALDH1A1SMN1; SMN2DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167144-A1 PREPARATION AND ITS APPLICATION OF A CYANIDE-BRIDGED METAL ORGANIC COMPOUND WITH INTRAMOLECULAR MAGNETIC TRANSFORMATION Hubei Jingmen Industrial Technology Research Institute Co., Ltd. (CN) 2023-06-01 US claimed
CN-111518145-B Cyano-bridged metal organic compound with intramolecular magnetic transformation and preparation method and application thereof 荆楚理工学院 2023-06-20 CN disclosed
US-20230167144-A1 PREPARATION AND ITS APPLICATION OF A CYANIDE-BRIDGED METAL ORGANIC COMPOUND WITH INTRAMOLECULAR MAGNETIC TRANSFORMATION Hubei Jingmen Industrial Technology Research Institute Co., Ltd. (CN) 2023-06-01 US disclosed