SCHEMBL6495572

SCHEMBL6495572

CCc1sc(-c2ccc(C)cn2)nc1C(=O)NCC(c1ccc(OC)cc1)C(OC(C)C)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
CSNK2A2 P19784 2/20 0.34
CSNK2A1 P68400 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
STAT3 P40763 1/20 0.33
HDAC3 O15379 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
TP53 P04637 3/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
ALDH1A1 P00352 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 2/20 0.32
PDE2A O00408 1/20 0.31
KCNA3 P22001 1/20 0.31
DGAT1 O75907 1/20 0.31
LMNA P02545 1/20 0.31
COPS5 Q92905 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
SCHEMBL6503799 0.91 EGLN2 (0.35) EGLN2EGLN1CSNK2A2CSNK2A1HDAC3
SCHEMBL6502680 0.76 CDC7 (0.41) EGLN2EGLN1HDAC3HDAC1HDAC6
SCHEMBL6504635 0.75 MAPT (0.47) TP53ALDH1A1MAPTLMNA
SCHEMBL6505070 0.75 TRPV1 (0.35) EGLN2EGLN1ALDH1A1NPC1MAPT
SCHEMBL7676306 0.74 MAPT (0.42) EGLN1TP53ALDH1A1MAPTLMNA
SCHEMBL6495569 0.73 PPARA (0.46)
SCHEMBL6495707 0.70 L3MBTL1 (0.44) L3MBTL1HDAC3HDAC1HDAC6ALDH1A1
SCHEMBL6505584 0.69 DGAT1 (0.38) L3MBTL1TP53ALDH1A1NPC1MAPT
SCHEMBL6495786 0.69 NPC1 (0.38) TP53ALDH1A1NPC1LMNA
SCHEMBL6496601 0.69 KMT2A (0.48) EGLN2EGLN1MAPTLMNA

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
US-6884821-B1 Carboxylic acid derivatives and drugs containing the same EISAI CO., LTD. (JP) 2005-04-26 US disclosed
EP-1216980-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed