SCHEMBL9290952

SCHEMBL9290952

CC(C)(C)c1ccccc1OC(=O)CCP(=O)(O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 4/20 0.47
GAA P10253 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
ATM Q13315 1/20 0.47
CFTR P13569 1/20 0.46
NPSR1 Q6W5P4 2/20 0.44
NAMPT P43490 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
BCHE P06276 1/20 0.40
POLB P06746 1/20 0.40
RBP4 P02753 1/20 0.39
MEN1 O00255 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL9291069 0.84 TDP1 (0.44) ALDH1A1KDM4EGAATDP1ATM
SCHEMBL12379209 0.80 ATM (0.53) ALDH1A1KDM4EGAATDP1ATM
SCHEMBL9290956 0.79 MAPT (0.50) ALDH1A1GAATDP1CFTRNPSR1
SCHEMBL27670207 0.79 TDP1 (0.55) ALDH1A1KDM4EGAATDP1ATM
SCHEMBL4558544 0.75 CFTR (0.60) ALDH1A1KDM4ECFTRPOLBMEN1
SCHEMBL1205809 0.75 TDP1 (0.57) ALDH1A1KDM4EGAATDP1ATM
SCHEMBL1205811 0.74 TDP1 (0.56) ALDH1A1KDM4EGAATDP1ATM
SCHEMBL1791077 0.74 TDP1 (0.55) ALDH1A1KDM4EGAATDP1ATM
SCHEMBL30201392 0.74 TDP1 (0.55) ALDH1A1KDM4EGAATDP1ATM
SCHEMBL8606909 0.73 ALDH1A1 (0.55) ALDH1A1CFTRNPSR1POLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5334760-A Reacting a dichlorophosphine compound with acrylic acid or methacrylic acid in presence of a peroxide or an azo catalysts then hydration SAKAI CHEMICAL INDUSTRY CO., LTD. (JP) 1994-08-02 US disclosed