SCHEMBL21547578

SCHEMBL21547578

CCNC(=O)OC1CCCC(F)(F)C1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.61
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.34
BCHE P06276 1/20 0.33
KCNA5 P22460 2/20 0.32
HTT P42858 1/20 0.32
NR1H4 Q96RI1 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CCNE1 P24864 2/20 0.31
CDK2 P24941 2/20 0.31
GSK3B P49841 1/20 0.31
RORC P51449 1/20 0.31

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
SCHEMBL20307137 0.91 EPHX1 (0.56) EPHX1ALDH1A1MEN1KMT2AGAA
SCHEMBL18265739 0.83 EPHX1 (0.63) EPHX1ALDH1A1MEN1KMT2AGAA
SCHEMBL17035439 0.83 EPHX1 (0.38) EPHX1SMN1; SMN2
SCHEMBL17050226 0.81 KCNA3 (0.37) EPHX1SMN1; SMN2CCNE1CDK2GSK3B
SCHEMBL28077322 0.80 NAAA (0.39) EPHX1HTTSMN1; SMN2
SCHEMBL27870934 0.78 EPHX1 (0.36) EPHX1HTT
SCHEMBL965658 0.78 EPHX1 (0.96) EPHX1ALDH1A1MEN1KMT2AGAA
SCHEMBL15777906 0.78 EPHX1 (0.89) EPHX1ALDH1A1MEN1KMT2AGAA
SCHEMBL28019641 0.77 BCHE (0.48) EPHX1ALDH1A1BCHE
SCHEMBL20798246 0.77 CYP3A4 (0.35) MEN1KMT2AHTT

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-3110418-B1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS INC (US) 2019-11-06 EP disclosed