SCHEMBL5718596

SCHEMBL5718596

COc1ccc(Cc2cccc(C(=O)O)c2N)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 1/20 0.46
TAS2R14 Q9NYV8 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NNMT P40261 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
USP2 O75604 1/20 0.40
PABPC1 P11940 1/20 0.40
BRS3 P32247 1/20 0.40
TSHR P16473 1/20 0.40
NAMPT P43490 1/20 0.39
SIRT6 Q8N6T7 1/20 0.38
KLKB1 P03952 1/20 0.38
CHRM4 P08173 1/20 0.38
G6PD P11413 1/20 0.38
CASP7 P55210 1/20 0.38
CASP6 P55212 1/20 0.38
POLB P06746 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
SCHEMBL30613366 0.81 NNMT (0.50) GPR52TAS2R14MEN1KMT2ANNMT
SCHEMBL29024632 0.80 USP2 (0.54) NPC1USP2BRS3TSHRG6PD
SCHEMBL3361331 0.75 TSHR (0.57) TSHRG6PDCASP7CASP6
SCHEMBL4444648 0.74 G6PD (0.59) LMNATSHRG6PDCASP7CASP6
SCHEMBL30934865 0.74 G6PD (0.59) LMNATSHRG6PDCASP7CASP6
SCHEMBL16598239 0.73 NNMT (0.48) GPR52TAS2R14MEN1KMT2ANNMT
SCHEMBL28748299 0.73 MEN1 (0.45) GPR52TAS2R14MEN1KMT2ANNMT
SCHEMBL7781040 0.73 TSHR (0.51) LMNATSHRG6PDCASP7CASP6
SCHEMBL8517324 0.72 ALDH1A1 (0.68) MEN1KMT2ALMNAPKMUSP2
SCHEMBL7283731 0.71 LTA4H (0.47) MEN1KMT2ANPC1LMNAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697312-A2 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF Leo Pharma A/S (DK) 2006-09-06 EP disclosed
WO-2005054179-A2 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2005-06-16 WO disclosed