SCHEMBL6938834

SCHEMBL6938834

CCCC(=O)Oc1ccc(SCCCBr)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.41
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
BCL9 O00512 1/20 0.39
CTNNB1 P35222 1/20 0.39
PTGS2 P35354 3/20 0.38
THRB P10828 1/20 0.37
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
CA2 P00918 3/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL6560619 0.90 NPC1 (0.41) HPGDNPC1LMNAPKMHTT
SCHEMBL7907629 0.78 NPC1 (0.41) HPGDNPC1LMNAPKMHTT
SCHEMBL3017398 0.75 BCL9 (0.51) HPGDLMNAHTTKDM4EALDH1A1
SCHEMBL6938837 0.73 PPARG (0.43) NPC1LMNAPKMHTTRAB9A
SCHEMBL7391312 0.73 BCL9 (0.49) HPGDNPC1LMNAHTTRAB9A
SCHEMBL5209075 0.72 ALDH1A1 (0.45) HPGDLMNAALDH1A1GAAPTGS2
SCHEMBL27760958 0.72 BCL9 (0.51) HPGDLMNAHTTRAB9AKDM4E
SCHEMBL22230556 0.72 BCL9 (0.48) HPGDNPC1LMNAHTTRAB9A
SCHEMBL4799237 0.70 BCL9 (0.49) HPGDNPC1LMNAHTTRAB9A
SCHEMBL27703405 0.70 LMNA (0.51) HPGDNPC1LMNAPKMHTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888278-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2003-07-23 EP disclosed
EP-0888278-A4 ANTIDIABETIC AGENTS MERCK & CO INC (US) 1999-06-30 EP disclosed
EP-0888278-A1 ANTIDIABETIC AGENTS Merck & Co., Inc. (US) 1999-01-07 EP disclosed
WO-1997028115-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1997-08-07 WO disclosed