SCHEMBL16857571

SCHEMBL16857571

O=C1O[C@H](CCNC(=O)C(F)(F)F)C[C@@H]1NC(=O)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MIF P14174 1/20 0.38
MTNR1A P48039 9/20 0.38
MTNR1B P49286 9/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NQO2 P16083 6/20 0.35
CA3 P07451 2/20 0.35
CA5A P35218 2/20 0.35
CA5B Q9Y2D0 2/20 0.35
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
KDM4E B2RXH2 2/20 0.34

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
SCHEMBL16857570 1.00 ALDH1A1 (0.39) ALDH1A1POLBSMN1; SMN2MIFMTNR1A
SCHEMBL20695760 0.72 ALDH1A1 (0.52) ALDH1A1POLBSMN1; SMN2MIFMTNR1A
SCHEMBL10487295 0.69 KDM4E (0.38) ALDH1A1KDM4ERAB9AHTTNCOA1
SCHEMBL8137564 0.65 MTNR1A (0.50) ALDH1A1POLBSMN1; SMN2MIFMTNR1A
SCHEMBL13523759 0.64 CCR2 (0.45)
SCHEMBL5413587 0.63 KDM4E (0.43) ALDH1A1CA2KDM4ERAB9AHTT
SCHEMBL5344420 0.63 KDM4E (0.43) ALDH1A1CA2KDM4ERAB9AHTT
SCHEMBL3825323 0.63 KDM4E (0.43) ALDH1A1CA2KDM4ERAB9AHTT
SCHEMBL13861685 0.62 ALDH1A1 (0.79) ALDH1A1POLBSMN1; SMN2MTNR1AMTNR1B
SCHEMBL629852 0.62 EPHX1 (0.56) ALDH1A1POLBSMN1; SMN2MTNR1AMTNR1B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2889378-B1 METHOD FOR PRODUCING HYDROXY-L-LYSINE EMPLOYING AN L-LYSINE HYDROXYLASE AND METHOD FOR PRODUCING HYDROXY-L-PIPECOLIC ACID API CORP (JP) 2018-01-10 EP disclosed
US-9512452-B2 L-lysine hydroxylase and production method for hydroxy-L-lysine and hydroxy-L-pipecolic acid using same API CORPORATION (JP) 2016-12-06 US disclosed
US-20150259715-A1 L-Lysine Hydroxylase and Production Method for Hydroxy-L-Lysine and Hydroxy-L-Pipecolic Acid Using Same API CORPORATION (JP) 2015-09-17 US disclosed
EP-2889378-A1 PRODUCTION METHOD FOR L-LYSINE HYDROXYLASE AND HYDROXY-L-LYSINE USING SAME, AND PRODUCTION METHOD FOR HYDROXY-L-PIPECOLIC ACID API Corporation (JP) 2015-07-01 EP disclosed