SCHEMBL1918788

SCHEMBL1918788

CC(C)CNC(=O)c1ccccc1NC(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.64
▸ ALDH1A1 P00352 3/20 0.64
▸ SMN1; SMN2 Q16637 4/20 0.61
▸ MAPT P10636 2/20 0.60
▸ HPGD P15428 1/20 0.60
▸ BACE1 P56817 1/20 0.58
▸ KMT2A Q03164 4/20 0.58
▸ POLB P06746 1/20 0.54
▸ MEN1 O00255 2/20 0.53
▸ ADRA1D P25100 1/20 0.53
▸ ADRA1A P35348 1/20 0.53
▸ ADRA1B P35368 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ LMNA P02545 1/20 0.50
▸ MMP8 P22894 1/20 0.50
▸ GAA P10253 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ TP53 P04637 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ NPC1 O15118 1/20 0.48

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
SCHEMBL14947473 0.84 ADRA1D (0.59) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL21311447 0.80 TSHR (0.64) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL3331311 0.80 HPGD (0.60) SMN1; SMN2HPGDKMT2APOLBMEN1
SCHEMBL31432180 0.80 KDM4E (0.66) KDM4EALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL12172746 0.80 KDM4E (0.66) KDM4EALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL21311316 0.79 RXFP1 (0.56) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL21311145 0.78 SMN1; SMN2 (0.58) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL20097036 0.78 SMN1; SMN2 (0.67) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL3183106 0.77 POLB (0.59) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL162725 0.77 POLB (0.59) KDM4EALDH1A1SMN1; SMN2MAPTHPGD

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-2326633-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2011-06-01 — — EP disclosed
WO-2010030592-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-18 — — WO disclosed
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