SCHEMBL382127

SCHEMBL382127

CCC(C)Oc1c(C)cccc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR5 P32302 5/20 0.58
ALDH1A1 P00352 4/20 0.55
KDM4E B2RXH2 3/20 0.55
HPGD P15428 2/20 0.55
HSD17B10 Q99714 2/20 0.55
MAPK8 P45983 1/20 0.43
MYC P01106 1/20 0.42
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 1/20 0.39
AKR1B10 O60218 1/20 0.39
TRPA1 O75762 1/20 0.39
ABCB11 O95342 1/20 0.39
DHFR P00374 1/20 0.39

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
SCHEMBL383489 0.83 ALDH1A1 (0.62) CXCR5ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL12569955 0.79 ALDH1A1 (0.60) CXCR5ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4857330 0.78 PTGER1 (0.45) CXCR5ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1989131 0.77 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDHSD17B10MYC
SCHEMBL27248901 0.76 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDHSD17B10MYC
SCHEMBL30675634 0.76 ALDH1A1 (0.70) ALDH1A1KDM4EHPGDHSD17B10MYC
SCHEMBL305252 0.76 ALDH1A1 (0.70) ALDH1A1KDM4EHPGDHSD17B10MYC
SCHEMBL4146424 0.76 KDM4E (0.49) CXCR5ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1899339 0.76 KDM4E (0.54) ALDH1A1KDM4EHPGDHSD17B10MAPK8
SCHEMBL5708141 0.75 KDM4E (0.46) CXCR5ALDH1A1KDM4EHPGDHSD17B10

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-8101625-B2 Pyrimidinones as Casein Kinase II (CK2) modulators EXELIXIS, INC. (US) 2012-01-24 US disclosed
EP-1948617-B1 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS INC (US) 2011-07-27 EP disclosed