SCHEMBL6558544

SCHEMBL6558544

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPK1 P28482 1/20 0.34
POLB P06746 1/20 0.34
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
CYP2C19 P33261 1/20 0.32
BRD4 O60885 1/20 0.32
OPRM1 P35372 3/20 0.31
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
OPRK1 P41145 3/20 0.30
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30
OPRD1 P41143 2/20 0.30
SLC22A1 O15245 1/20 0.30
SLC6A4 P31645 1/20 0.30
ADRA1A P35348 1/20 0.30

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
SCHEMBL6557276 0.78 ATM (0.38) ATMMEN1KMT2AMAPK1POLB
SCHEMBL18244792 0.74 SLC22A1 (0.34) ATMMEN1KMT2AMAPK1OPRM1
SCHEMBL6558542 0.71 OPRM1 (0.45) OPRM1ALDH1A1SMN1; SMN2OPRK1OPRD1
SCHEMBL25061772 0.70 TP53 (0.39) ATMMEN1KMT2AMAPK1POLB
SCHEMBL18252889 0.67 ATM (0.39) ATMMEN1KMT2AMAPK1POLB
SCHEMBL25061531 0.67 ATM (0.36) ATMMEN1KMT2AMAPK1POLB
SCHEMBL25061577 0.65 CRBN (0.33) ATMMEN1KMT2AMAPK1POLB
Hydrochloric Acid SCHEMBL25436233 0.64 MEN1 (0.33) ATMMEN1KMT2AMAPK1POLB
SCHEMBL23618125 0.63 KMT2A (0.36) MEN1KMT2APOLBNFKB1CYP2C19
SCHEMBL18252879 0.61 POLB (0.32) ATMPOLB

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