SCHEMBL6915288

SCHEMBL6915288

Cc1cc(C)c(C(=O)O)c(C)c1.[Cd]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CYP3A4 P08684 2/20 0.52
ACHE P22303 1/20 0.52
TPMT P51580 1/20 0.50
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPK1 P28482 1/20 0.48
MAPT P10636 1/20 0.44
HCAR1 Q9BXC0 1/20 0.43
NOTUM Q6P988 1/20 0.43
POLB P06746 1/20 0.42
LDHA P00338 1/20 0.42
LDHB P07195 1/20 0.42
TAS1R3 Q7RTX0 2/20 0.41
TAS1R1 Q7RTX1 2/20 0.41
TAS1R2 Q8TE23 2/20 0.41
IGFBP3 P17936 1/20 0.41
KMT2A Q03164 2/20 0.40
HPGD P15428 2/20 0.40

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
SCHEMBL377596 0.97 KDM4E (0.55) KDM4EL3MBTL1CYP3A4ACHETPMT
SCHEMBL21870 0.97 KDM4E (0.55) KDM4EL3MBTL1CYP3A4ACHETPMT
SCHEMBL6915449 0.95 KDM4E (0.53) KDM4EL3MBTL1CYP3A4ACHETPMT
Hydrochloric Acid SCHEMBL5167636 0.95 KDM4E (0.53) KDM4EL3MBTL1CYP3A4ACHETPMT
SCHEMBL6916749 0.95 KDM4E (0.53) KDM4EL3MBTL1CYP3A4ACHETPMT
SCHEMBL6912704 0.95 KDM4E (0.53) KDM4EL3MBTL1CYP3A4ACHETPMT
SCHEMBL6917032 0.95 KDM4E (0.53) KDM4EL3MBTL1CYP3A4ACHETPMT
SCHEMBL6912557 0.95 KDM4E (0.53) KDM4EL3MBTL1CYP3A4ACHETPMT
SCHEMBL17558193 0.95 KDM4E (0.53) KDM4EL3MBTL1CYP3A4ACHETPMT
SCHEMBL6916700 0.95 KDM4E (0.53) KDM4EL3MBTL1CYP3A4ACHETPMT

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-6830704-B2 Contains a Lewis acid metal salt and a compound having clathrating ability. TOAGOSEI CO., LTD. (JP) 2004-12-14 US disclosed
US-20030135016-A1 Contains a Lewis acid metal salt and a compound having clathrating ability. TOAGOSEI CO., LTD. 2003-07-17 US disclosed
US-6547985-B1 Adhesive mixture TOGOSEI CO., LTD. (JP) 2003-04-15 US disclosed