SCHEMBL6912985

SCHEMBL6912985

Cc1ccc(C)c(C(=O)[O-])c1C.Cc1ccc(C)c(C(=O)[O-])c1C.Cc1ccc(C)c(C(=O)[O-])c1C.[In+3]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.36
CA2 P00918 7/20 0.34
CA1 P00915 6/20 0.34
CA4 P22748 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
TDP2 O95551 1/20 0.33
NSD2 O96028 1/20 0.33
HSP90AA1 P07900 1/20 0.33
PAX8 Q06710 1/20 0.33
MCL1 Q07820 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
MAPT P10636 2/20 0.32
TSHR P16473 2/20 0.32
MEN1 O00255 1/20 0.32
GMNN O75496 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 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
SCHEMBL6913499 0.95 METAP2 (0.36) METAP2CA2CA1CA4TDP1
SCHEMBL6916703 0.95 METAP2 (0.36) METAP2CA2CA1CA4TDP1
SCHEMBL6916719 0.95 METAP2 (0.36) METAP2CA2CA1CA4TDP1
Zinc Ion SCHEMBL6914934 0.95 METAP2 (0.36) METAP2CA2CA1CA4TDP1
SCHEMBL6915274 0.95 METAP2 (0.36) METAP2CA2CA1CA4TDP1
SCHEMBL6907850 0.95 METAP2 (0.36) METAP2CA2CA1CA4TDP1
SCHEMBL6913863 0.95 TDP1 (0.37) METAP2CA2CA1CA4TDP1
SCHEMBL8758348 0.80 KDM4E (0.38) CA2CA1CA4TDP1L3MBTL1
SCHEMBL6909087 0.78 CA1 (0.39) CA2CA1CA4CYP3A4MAPK1
SCHEMBL6916431 0.78 TDP1 (0.47) CA2CA1CA4TDP1L3MBTL1

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