SCHEMBL7938534

SCHEMBL7938534

O=C(NCCC(F)(F)F)NCCC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
EPHX1 P07099 6/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CFTR P13569 1/20 0.36
PRMT1 Q99873 1/20 0.36
CA3 P07451 2/20 0.33
CA5A P35218 2/20 0.33
CA5B Q9Y2D0 2/20 0.33
HDAC3 O15379 1/20 0.33
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
MLYCD O95822 1/20 0.32

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
SCHEMBL15923866 0.85 CFTR (0.36) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL3907144 0.81 CFTR (0.38) SMN1; SMN2ALDH1A1POLBEPHX1MEN1
SCHEMBL6721810 0.81 ALDH1A1 (0.37) SMN1; SMN2ALDH1A1POLBEPHX1MEN1
SCHEMBL7935563 0.79 CFTR (0.37) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL27494342 0.79 ALDH1A1 (0.65) SMN1; SMN2ALDH1A1POLBEPHX1MEN1
SCHEMBL27393143 0.79 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL50032 0.79 KDM4E (0.50) SMN1; SMN2ALDH1A1POLBEPHX1MEN1
SCHEMBL23042497 0.77 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL18628618 0.75 ALDH1A1 (0.33) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL20045680 0.75 CA2 (0.36) SMN1; SMN2ALDH1A1POLBMEN1KMT2A

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-6218498-B1 USEFUL IN PREPARING MOISTURE CURABLE RTV-1 COMPOSITIONS, AND ARE USEFUL IN DIVERSE PROCESSES WHERE SCAVENGING OF PROTIC MATERIALS, PARTICULARLY WATER, IS DESIRED. WACKER-CHEMIE GMBH (DE) 2001-04-17 US disclosed