SCHEMBL27468087

SCHEMBL27468087

O=C(C[C@@H](c1ccc(C[SH](=O)=O)c(Cl)c1)C1CCCC1)Nc1nccs1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.46
▸ EPHX2 P34913 1/20 0.44
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ POLB P06746 3/20 0.42
▸ FFAR2 O15552 4/20 0.42
▸ HTT P42858 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ GCK P35557 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PKM P14618 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL27467150 0.80 FFAR2 (0.63) EPHX2FFAR2GCK
SCHEMBL27515306 0.78 FFAR1 (0.45) FFAR2
SCHEMBL27552958 0.77 SLC6A3 (0.38) MEN1KMT2A
SCHEMBL27482051 0.70 SLC6A3 (0.37) —
SCHEMBL27465638 0.69 GCK (0.60) EPHX2POLBFFAR2GCK
SCHEMBL27482753 0.69 GCK (0.60) EPHX2POLBFFAR2GCK
SCHEMBL27466236 0.69 GCK (0.59) EPHX2POLBFFAR2GCK
SCHEMBL2645075 0.66 FFAR2 (0.72) EPHX2POLBFFAR2GCKMAPT
SCHEMBL2645076 0.66 FFAR2 (0.72) EPHX2POLBFFAR2GCKMAPT
SCHEMBL2657079 0.66 FFAR2 (0.72) EPHX2POLBFFAR2GCKMAPT

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
CN-1151140-C Glucokinase activators - 2004-05-26 — — CN claimed
CN-1349519-A Glucokinase activators HOFFMANN LA ROCHE (CH) 2002-05-15 — — CN claimed
CN-1151140-C Glucokinase activators - 2004-05-26 — — CN disclosed
CN-1349519-A Glucokinase activators HOFFMANN LA ROCHE (CH) 2002-05-15 — — CN disclosed
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