SCHEMBL4551091

SCHEMBL4551091

CC1(N2CCC3(CC2)OCCO3)CCN(C(=O)O)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 7/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.41
MAPK1 P28482 2/20 0.40
LMNA P02545 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 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
SCHEMBL3047968 0.86 ALDH1A1 (0.53) KMT2AALDH1A1TSHRL3MBTL1POLB
SCHEMBL10063079 0.80 POLB (0.52) KMT2AALDH1A1TSHRL3MBTL1POLB
SCHEMBL10062603 0.79 USP2 (0.49) KMT2AALDH1A1POLBMAPK1LMNA
SCHEMBL11889924 0.78 ALDH1A1 (0.46) KMT2AALDH1A1TSHRL3MBTL1POLB
SCHEMBL17262132 0.76 CCR5 (0.35) POLB
SCHEMBL3839702 0.75 CCR5 (0.57)
SCHEMBL14045658 0.74 KDM4E (0.35) KMT2AALDH1A1TSHRPOLBMAPK1
SCHEMBL13088273 0.74 KMT2A (0.56) KMT2AALDH1A1TSHRL3MBTL1POLB
SCHEMBL4197599 0.72 CCR5 (0.44)
SCHEMBL20640318 0.72 CCR5 (0.44) KMT2AALDH1A1NPC1MEN1

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-2088860-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2009-08-19 EP disclosed
WO-2008070758-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2008-06-12 WO disclosed