SCHEMBL2489043

SCHEMBL2489043

O=C(CCc1c[nH]c2ccccc12)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.72
ACE P12821 4/20 0.63
LTA4H P09960 1/20 0.61
ALDH1A1 P00352 2/20 0.60
MAPT P10636 2/20 0.60
GAA P10253 1/20 0.60
MEN1 O00255 1/20 0.58
HCRTR1 O43613 1/20 0.58
ALOX15 P16050 1/20 0.58
KDM4E B2RXH2 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
ITGB2 P05107 1/20 0.56
ICAM1 P05362 1/20 0.56
ITGAL P20701 1/20 0.56
MME P08473 1/20 0.56
PPARG P37231 1/20 0.56

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
SCHEMBL29869259 0.93 KMT2A (0.69) KMT2AACELTA4HALDH1A1MAPT
SCHEMBL28587519 0.91 ALOX15 (0.64) KMT2AACELTA4HMEN1HCRTR1
SCHEMBL2959306 0.91 ALOX15 (0.64) KMT2AACELTA4HMEN1HCRTR1
SCHEMBL2956712 0.91 ALOX15 (0.64) KMT2AACELTA4HMEN1HCRTR1
SCHEMBL1574598 0.88 KMT2A (0.68) KMT2AACELTA4HMEN1ALOX15
SCHEMBL503091 0.88 KMT2A (0.68) KMT2AACELTA4HMEN1ALOX15
SCHEMBL30069244 0.88 KMT2A (0.68) KMT2AACELTA4HMEN1ALOX15
SCHEMBL29557188 0.88 KMT2A (0.68) KMT2AACELTA4HMEN1ALOX15
SCHEMBL28359802 0.87 ALDH1A1 (0.61) KMT2AACEALDH1A1MAPTGAA
SCHEMBL28359800 0.87 ALDH1A1 (0.61) KMT2AACEALDH1A1MAPTGAA

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-2379053-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR CANCER Takeda Pharmaceutical Company Limited (JP) 2011-10-26 EP disclosed
WO-2010076896-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR CANCER TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-08 WO disclosed