SCHEMBL10690536

SCHEMBL10690536

CCCCCCCCNC(=O)C(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 1.00
MEN1 O00255 2/20 0.79
KMT2A Q03164 2/20 0.79
ALDH1A1 P00352 1/20 0.75
POLB P06746 1/20 0.75
SMN1; SMN2 Q16637 1/20 0.75
CA3 P07451 2/20 0.64
CA5A P35218 2/20 0.64
CA5B Q9Y2D0 2/20 0.64
CA12 O43570 1/20 0.64
CA2 P00918 1/20 0.64
CA4 P22748 1/20 0.64
CA6 P23280 1/20 0.64
CA7 P43166 1/20 0.64
CA9 Q16790 1/20 0.64
CA14 Q9ULX7 1/20 0.64
MLYCD O95822 1/20 0.54
CASP2 P42575 1/20 0.53
FAAH O00519 5/20 0.50
CES1 P23141 4/20 0.50

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
SCHEMBL7716931 1.00 EPHX1 (1.00) EPHX1MEN1KMT2AALDH1A1POLB
SCHEMBL10683800 1.00 EPHX1 (1.00) EPHX1MEN1KMT2AALDH1A1POLB
SCHEMBL10685206 1.00 EPHX1 (1.00) EPHX1MEN1KMT2AALDH1A1POLB
SCHEMBL5057808 1.00 EPHX1 (1.00) EPHX1MEN1KMT2AALDH1A1POLB
SCHEMBL13010044 1.00 EPHX1 (1.00) EPHX1MEN1KMT2AALDH1A1POLB
SCHEMBL11475528 1.00 EPHX1 (1.00) EPHX1MEN1KMT2AALDH1A1POLB
SCHEMBL10688529 1.00 EPHX1 (1.00) EPHX1MEN1KMT2AALDH1A1POLB
SCHEMBL1389225 0.98 EPHX1 (0.96) EPHX1MEN1KMT2AALDH1A1POLB
SCHEMBL2736707 0.91 EPHX1 (0.84) EPHX1MEN1KMT2AALDH1A1POLB
SCHEMBL7545639 0.89 EPHX1 (0.80) EPHX1MEN1KMT2AALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4719312-A FLUOROALKYLAMINES MERCK & CO., INC. (US) 1988-01-12 US disclosed
EP-0009944-B1 LYSOSOMOTROPIC FLUORINATED AMINE THERAPEUTIC AGENTS AND COMPOSITIONS CONTAINING THEM MERCK & CO. INC. (US) 1983-05-18 EP disclosed
EP-0009944-A2 Lysosomotropic fluorinated amine therapeutic agents and compositions containing them MERCK & CO. INC. (US) 1980-04-16 EP disclosed