SCHEMBL16622189

SCHEMBL16622189

CCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.55
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CA2 P00918 3/20 0.43
CA1 P00915 2/20 0.43
STS P08842 1/20 0.41
ACHE P22303 6/20 0.40
MMP2 P08253 1/20 0.40
CA12 O43570 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 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
SCHEMBL1169288 0.91 EPHX1 (0.64) EPHX1ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL10619817 0.91 EPHX1 (0.64) EPHX1ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL30489951 0.87 CA1 (0.48) EPHX1ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL10034057 0.83 EPHX1 (0.50) EPHX1MEN1KMT2ACA2CA1
SCHEMBL6260269 0.82 CA2 (0.45) EPHX1ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL11021321 0.82 CA2 (0.45) EPHX1ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL6256434 0.81 ALDH1A1 (0.49) EPHX1ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL28985045 0.81 EPHX1 (0.41) EPHX1ALDH1A1POLBSMN1; SMN2CA2
SCHEMBL10454418 0.81 EPHX1 (0.50) EPHX1ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL28985385 0.80 CA2 (0.41) EPHX1ALDH1A1POLBSMN1; SMN2MEN1

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-8999298-B2 Dental oral composition NATIONAL UNIVERSITY CORPORATION OKAYAMA UNIVERSITY (JP) 2015-04-07 US disclosed