SCHEMBL8092274

SCHEMBL8092274

NCCCNCCCCCCNCCCCCCNCCCN

nearest known ligand 0.93

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.93
CA6 P23280 5/20 0.93
CA7 P43166 5/20 0.93
CA9 Q16790 5/20 0.93
CA14 Q9ULX7 5/20 0.93
CA5B Q9Y2D0 5/20 0.93
CA2 P00918 4/20 0.93
CA4 P22748 4/20 0.93
CA5A P35218 4/20 0.93
ALOX15 P16050 3/20 0.93
F13A1 P00488 2/20 0.93
CYP1A2 P05177 2/20 0.93
THPO P40225 2/20 0.93
CASP2 P42575 2/20 0.93
MEN1 O00255 2/20 0.93
RECQL P46063 2/20 0.93
KMT2A Q03164 2/20 0.93
CYP2C19 P33261 1/20 0.93
HSD17B10 Q99714 1/20 0.93
CA3 P07451 3/20 0.87

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
SCHEMBL6030290 1.00 CA12 (0.93) CA12CA6CA7CA9CA14
SCHEMBL6031257 1.00 CA12 (0.93) CA12CA6CA7CA9CA14
SCHEMBL11584955 1.00 CA12 (0.93) CA12CA6CA7CA9CA14
SCHEMBL14739092 1.00 CA12 (0.93) CA12CA6CA7CA9CA14
SCHEMBL6029943 1.00 CA12 (0.93) CA12CA6CA7CA9CA14
SCHEMBL995526 1.00 CA12 (0.93) CA12CA6CA7CA9CA14
SCHEMBL14740131 1.00 CA12 (0.93) CA12CA6CA7CA9CA14
SCHEMBL12002491 1.00 CA12 (0.93) CA12CA6CA7CA9CA14
SCHEMBL14739695 1.00 CA12 (0.93) CA12CA6CA7CA9CA14
SCHEMBL222228 1.00 CA12 (0.93) CA12CA6CA7CA9CA14

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
EP-1050565-A2 Method of hydrophobisation and preparations for carrying out said method BASF AKTIENGESELLSCHAFT (DE) 2000-11-08 EP disclosed