SCHEMBL6557276

SCHEMBL6557276

CCOC(=O)C1(C)CC(=O)C=CO1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.38
POLB P06746 1/20 0.36
BRD4 O60885 1/20 0.36
TSHR P16473 3/20 0.35
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
MAPK1 P28482 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TP53 P04637 1/20 0.33
MAPT P10636 2/20 0.33
ABCB11 O95342 1/20 0.33
LMNA P02545 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
SCHEMBL6558544 0.78 ATM (0.35) ATMPOLBBRD4NFKB1NFKB2
SCHEMBL6558542 0.75 OPRM1 (0.45) ALDH1A1SMN1; SMN2OPRM1HTT
SCHEMBL24802589 0.73 BRD4 (0.37) ATMPOLBBRD4TSHRMAPK1
SCHEMBL18245008 0.71 SLC22A1 (0.36) ATMPOLBBRD4MEN1KMT2A
SCHEMBL21803156 0.69 ATM (0.44) ATMPOLBBRD4TSHRMAPK1
SCHEMBL12951616 0.69 ALDH1A1 (0.41) ATMPOLBTSHRALDH1A1GAA
SCHEMBL9206727 0.68
SCHEMBL31263063 0.68 ATM (0.40) ATMPOLBBRD4TSHRMAPK1
SCHEMBL15195739 0.67 KDM4E (0.33) TSHRALDH1A1KDM4ELMNA
SCHEMBL7929034 0.67 ATM (0.38) ATMPOLBBRD4MAPK1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1038877-B1 Binaphthol monophosphoric acid derivative and its use TOSOH CORP (JP) 2004-03-10 EP disclosed
US-6274745-B1 CATALYST TOSOH CORPORATION (JP) 2001-08-14 US disclosed
EP-1038877-A1 Binaphthol monophosphoric acid derivative and its use Tosoh Corporation (JP) 2000-09-27 EP disclosed