SCHEMBL10137983

SCHEMBL10137983

CC(=O)NCCCCO[PH](=O)OCCCCNC(=O)C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
POLB P06746 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
EPHX1 P07099 1/20 0.51
CA3 P07451 2/20 0.50
CA5A P35218 2/20 0.50
CA5B Q9Y2D0 2/20 0.50
CA14 Q9ULX7 2/20 0.50
CA12 O43570 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
KDM4E B2RXH2 1/20 0.46
MAPK1 P28482 1/20 0.46
HIF1A Q16665 1/20 0.46
PAOX Q6QHF9 3/20 0.40

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
SCHEMBL3433785 0.92 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL10137981 0.86 MEN1 (0.58) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL12393230 0.86 EPHX1 (0.73) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL12453390 0.83 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL17367966 0.81 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL24173750 0.79 MEN1 (0.49) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL20185561 0.78 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL14096591 0.76 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL12393215 0.76 ALDH1A1 (0.75) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL27889238 0.75 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2POLBMEN1KMT2A

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-8389745-B2 Phosphonate fluorescent dyes and conjugates ELITECH HOLDING B.V. (NL) 2013-03-05 US disclosed
US-20120116079-A1 PHOSPHONATE FLUORESCENT DYES AND CONJUGATES ELITECHGROUP MDX LLC 2012-05-10 US disclosed