SCHEMBL4822378

SCHEMBL4822378

CC1=C(C(=O)O)C(c2ccc(F)c(Br)c2)(C(C)(C)C)C(C(=O)O)=C(C)N1C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ABCC9 O60706 1/20 0.31
ABCC8 Q09428 1/20 0.31
KCNJ11 Q14654 1/20 0.31
KCNJ8 Q15842 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL4755352 0.82 GAA (0.34) LMNAKDM4E
SCHEMBL4814956 0.81 ALDH1A1 (0.32)
SCHEMBL4757307 0.78 DGAT1 (0.33) LMNA
SCHEMBL4755368 0.74 HCAR2 (0.36)
SCHEMBL4756122 0.74 GAA (0.30)
SCHEMBL4757277 0.68 TSHR (0.34) LMNATSHRNPSR1ABCC9ABCC8
SCHEMBL12614568 0.62 HDAC3 (0.42) LMNATSHRNPSR1
SCHEMBL24746321 0.59 ABCC9 (0.36) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL8226487 0.59 DRD2 (0.36) ABCC9ABCC8KCNJ11KCNJ8KDM4E
SCHEMBL18662334 0.59 USP2 (0.38) ABCC9ABCC8KCNJ11KCNJ8

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
WO-2008006070-A2 COMPOUNDS AND COMBINATIONS THEREOF FOR INHIBITING BETA-AMYLOID PRODUCTION AND METHODS OF USE THEREOF ROSKAMP RESEARCH LLC (US) 2008-01-10 WO disclosed
EP-1858325-A2 COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION AND METHODS OF IDENTIFYING THE COMPOUNDS Roskamp Research LLC (US) 2007-11-28 EP disclosed
WO-2006074419-A2 COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION AND METHODS OF IDENTIFYING THE COMPOUNDS ROSKAMP RESEARCH LLC (US) 2006-07-13 WO disclosed