SCHEMBL8713877

SCHEMBL8713877

O=S(=O)(CC(F)(F)F)N1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.48
CA7 P43166 1/20 0.48
CA14 Q9ULX7 1/20 0.48
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
TSHR P16473 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.36
EPHX2 P34913 1/20 0.36

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
SCHEMBL28296145 0.78 CA1 (0.42) TSHRL3MBTL1ALDH1A1KDM4EPOLB
SCHEMBL2246611 0.75 KDM4E (0.42) ALDH1A1KDM4EEPHX2
SCHEMBL15693604 0.75 CA12 (0.59) CA12CA7CA14LMNASMN1; SMN2
SCHEMBL15693585 0.75 CA12 (0.59) CA12CA7CA14LMNASMN1; SMN2
SCHEMBL7602303 0.75 CA12 (0.59) CA12CA7CA14LMNASMN1; SMN2
SCHEMBL14089626 0.73 CA12 (0.35) CA12CA7CA14LMNASMN1; SMN2
SCHEMBL3308588 0.73 EPHX2 (0.38) EPHX2
Hydrochloric Acid SCHEMBL2593006 0.73 KDM4E (0.41) ALDH1A1KDM4EEPHX2
SCHEMBL8263009 0.72 KDM4E (0.46) LMNATSHRL3MBTL1ALDH1A1KDM4E
SCHEMBL14388360 0.72 KMT2A (0.43) L3MBTL1ALDH1A1KDM4EPOLBEPHX2

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
EP-0861210-A1 METHODS AND COMPOSITIONS FOR CONTROLLING BIOFOULING USING SULFONAMIDES BUCKMAN LABORATORIES INTERNATIONAL, INC. (US) 1998-09-02 EP claimed
WO-1997011913-A1 METHODS AND COMPOSITIONS FOR CONTROLLING BIOFOULING USING SULFONAMIDES BUCKMAN LABORATORIES INTERNATIONAL, INC. (US) 1997-04-03 WO claimed