SCHEMBL19975424

SCHEMBL19975424

CC(C(O)C(=O)NCC1CCCCC1)N(C=O)[C@H]1CC[C@@H](NC(=O)O)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.39
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36
CYP2D6 P10635 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 3/20 0.33
GAA P10253 2/20 0.33
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BCHE P06276 3/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL19975423 1.00 EPHX1 (0.39) EPHX1ADH1BADH1CADH1ACYP2D6
SCHEMBL19974862 0.89 ADH1B (0.46) EPHX1ADH1BADH1CADH1ACYP2D6
SCHEMBL19975527 0.86 ADH1C (0.46) EPHX1ADH1BADH1CADH1ACYP2D6
SCHEMBL21176290 0.86 KMT2A (0.42) EPHX1ADH1BADH1CADH1ASMN1; SMN2
SCHEMBL30063422 0.86 KMT2A (0.42) EPHX1ADH1BADH1CADH1ASMN1; SMN2
SCHEMBL21176292 0.86 KMT2A (0.42) EPHX1ADH1BADH1CADH1ASMN1; SMN2
SCHEMBL19974956 0.80 ADH1C (0.50) EPHX1ADH1BADH1CADH1ASMN1; SMN2
SCHEMBL19975269 0.78 EPHX1 (0.46) EPHX1CYP2D6SMN1; SMN2ALDH1A1TSHR
SCHEMBL21176352 0.78 EPHX1 (0.46) EPHX1CYP2D6SMN1; SMN2ALDH1A1TSHR
SCHEMBL19975360 0.77 MEN1 (0.35) ADH1BADH1CADH1ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3512836-A1 ANTIVIRAL COMPOUNDS Haplogen GmbH (AT) 2019-07-24 EP disclosed
WO-2018050631-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2018-03-22 WO disclosed