SCHEMBL6909528

SCHEMBL6909528

Cc1ccc(C)c(C(=O)O)c1.[AlH3]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.63
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 3/20 0.47
NOTUM Q6P988 1/20 0.47
TSHR P16473 1/20 0.46
GFER P55789 1/20 0.46
MCL1 Q07820 2/20 0.46
CLCN2 P51788 1/20 0.45
METAP2 P50579 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
MAOB P27338 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44

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
SCHEMBL223101 0.98 CSNK2A1 (0.65) CSNK2A1MEN1KMT2AKDM4EALDH1A1
SCHEMBL6916310 0.95 CSNK2A1 (0.63) CSNK2A1MEN1KMT2AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL6113002 0.95 CSNK2A1 (0.63) CSNK2A1MEN1KMT2AKDM4EALDH1A1
SCHEMBL6916098 0.95 CSNK2A1 (0.63) CSNK2A1MEN1KMT2AKDM4EALDH1A1
SCHEMBL6917333 0.95 CSNK2A1 (0.63) CSNK2A1MEN1KMT2AKDM4EALDH1A1
SCHEMBL6913494 0.95 CSNK2A1 (0.63) CSNK2A1MEN1KMT2AKDM4EALDH1A1
Iodide SCHEMBL6113218 0.95 CSNK2A1 (0.63) CSNK2A1MEN1KMT2AKDM4EALDH1A1
Bromide SCHEMBL6112907 0.95 CSNK2A1 (0.63) CSNK2A1MEN1KMT2AKDM4EALDH1A1
SCHEMBL6916095 0.95 CSNK2A1 (0.63) CSNK2A1MEN1KMT2AKDM4EALDH1A1
SCHEMBL6916692 0.95 CSNK2A1 (0.63) CSNK2A1MEN1KMT2AKDM4EALDH1A1

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