SCHEMBL25198215

SCHEMBL25198215

CCCCP(Oc1ccc(C)cc1)Oc1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MITF O75030 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
DRD2 P14416 3/20 0.36
DRD4 P21917 3/20 0.36
DRD3 P35462 3/20 0.36
HTT P42858 1/20 0.34
LTA4H P09960 2/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
TEAD4 Q15561 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 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
MAPT P10636 1/20 0.33

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
Bromide SCHEMBL25222073 0.98 SMN1; SMN2 (0.39) ACHESMN1; SMN2MITFALDH1A1LMNA
Hydrochloric Acid SCHEMBL29193795 0.98 ACHE (0.37) ACHESMN1; SMN2MITFALDH1A1LMNA
SCHEMBL28440963 0.94 HTT (0.37) ACHESMN1; SMN2MITFALDH1A1LMNA
Hydrochloric Acid SCHEMBL25265430 0.92 HTT (0.36) ACHESMN1; SMN2MITFALDH1A1LMNA
Bromide SCHEMBL25194044 0.92 SMN1; SMN2 (0.38) ACHESMN1; SMN2MITFALDH1A1LMNA
SCHEMBL25212515 0.88 ACHE (0.41) ACHESMN1; SMN2MITFALDH1A1LMNA
Hydrochloric Acid SCHEMBL25265433 0.86 ACHE (0.39) ACHESMN1; SMN2MITFALDH1A1LMNA
Bromide SCHEMBL25222030 0.86 ACHE (0.39) ACHESMN1; SMN2MITFALDH1A1LMNA
SCHEMBL4451586 0.82 LTA4H (0.47) SMN1; SMN2ALDH1A1LMNADRD2DRD3
SCHEMBL2150871 0.78 MITF (0.39) ACHESMN1; SMN2MITFALDH1A1LMNA

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 5 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-A Cyanide-bridged metal organic compound with intramolecular magnetic transformation, and preparation method and application thereof 荆楚理工学院 2020-08-11 CN 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
CN-111518145-A Cyanide-bridged metal organic compound with intramolecular magnetic transformation, and preparation method and application thereof 荆楚理工学院 2020-08-11 CN disclosed