SCHEMBL19975488

SCHEMBL19975488

CNC(C(C)C)C(C)C(O)C(=O)NCC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
CA9 Q16790 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
EPHX2 P34913 1/20 0.39
OPRK1 P41145 2/20 0.39
LIPE Q05469 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL19974786 0.82 EPHX1 (0.46) EPHX1ALDH1A1TSHRSMN1; SMN2CA12
SCHEMBL19974929 0.77 METAP2 (0.48) EPHX1ALDH1A1TSHRSMN1; SMN2CA12
SCHEMBL8012947 0.76 METAP2 (0.44) EPHX1ALDH1A1TSHRSMN1; SMN2CA12
SCHEMBL19974914 0.76 EPHX1 (0.46) EPHX1ALDH1A1TSHRSMN1; SMN2CA12
SCHEMBL19975350 0.75 EPHX1 (0.45) EPHX1ALDH1A1TSHRSMN1; SMN2CA12
SCHEMBL19975153 0.75 EPHX1 (0.45) EPHX1ALDH1A1TSHRSMN1; SMN2CA12
SCHEMBL13581 0.74 EPHX1 (0.55) EPHX1ALDH1A1TSHRSMN1; SMN2CA12
SCHEMBL19652274 0.74 EPHX1 (0.55) EPHX1ALDH1A1TSHRSMN1; SMN2CA12
SCHEMBL19974886 0.74 EPHX1 (0.49) EPHX1ALDH1A1TSHRSMN1; SMN2CA12
SCHEMBL19975390 0.73 TDP1 (0.42) EPHX1ALDH1A1TSHRSMN1; 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 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