SCHEMBL6691986

SCHEMBL6691986

Cc1[nH]c2ccc(CCN(C)C3CCCCC3)cc2c1C(=O)OC1(C)CCCC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 3/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 2/20 0.37
KDM4E B2RXH2 3/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
MAPK14 Q16539 1/20 0.33

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
SCHEMBL6322139 0.85 GAA (0.42) KMT2AALDH1A1MEN1MAPTGAA
SCHEMBL6324231 0.84 GAA (0.42) KMT2AALDH1A1MEN1MAPTLMNA
SCHEMBL6317179 0.83 KMT2A (0.42) KMT2AALDH1A1MEN1MAPTLMNA
SCHEMBL6322647 0.82 GAA (0.43) KMT2AALDH1A1MEN1MAPTLMNA
SCHEMBL6316797 0.80 KMT2A (0.38) KMT2AALDH1A1MEN1MAPTLMNA
SCHEMBL6317151 0.80 KMT2A (0.36) KMT2AALDH1A1MEN1MAPTLMNA
SCHEMBL6315271 0.79 KMT2A (0.41) KMT2AALDH1A1MEN1MAPTLMNA
SCHEMBL6323695 0.79 KMT2A (0.41) KMT2AALDH1A1MEN1MAPTLMNA
SCHEMBL6316297 0.79 MAPK14 (0.40) KMT2AALDH1A1MEN1MAPTLMNA
SCHEMBL6317350 0.79 ALDH1A1 (0.41) KMT2AALDH1A1MEN1MAPTLMNA

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-1377549-A1 FUNCTIONALIZED HETEROCYCLES AS MODULATORS OF CHEMOKINE RECEPTOR FUNCTION AND METHODS OF USE THEREFOR Millennium Pharmaceuticals, Inc. (US) 2004-01-07 EP disclosed
WO-2002072549-A1 FUNCTIONALIZED HETEROCYCLES AS MODULATORS OF CHEMOKINE RECEPTOR FUNCTION AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-09-19 WO disclosed