SCHEMBL19862707

SCHEMBL19862707

CCC(CC(C)C(=O)Oc1ccc(C(=O)c2ccccc2)cc1)N1CCCC1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 8/20 0.49
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
LTA4H P09960 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPK1 P28482 1/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA13 Q8N1Q1 1/20 0.38
CA14 Q9ULX7 1/20 0.38

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
SCHEMBL19862714 0.87 ELANE (0.41) ELANEMEN1KMT2ANPC1LTA4H
SCHEMBL825544 0.77 ELANE (0.71) ELANEMEN1KMT2ANPC1L3MBTL1
SCHEMBL19862709 0.75 ELANE (0.61) ELANEMEN1KMT2AL3MBTL1MAPK1
SCHEMBL19862713 0.73 ELANE (0.54) ELANEMEN1KMT2AL3MBTL1MAPT
SCHEMBL18054736 0.71 ELANE (0.40) ELANEMEN1KMT2ANPC1LTA4H
SCHEMBL19862712 0.70 ELANE (0.54) ELANEMEN1KMT2AL3MBTL1MAPK1
SCHEMBL16406554 0.70 ELANE (0.61) ELANEMEN1KMT2ANPC1L3MBTL1
SCHEMBL16252940 0.70 LMNA (0.44) LMNACA12CA1CA2CA3
SCHEMBL13292865 0.70 LMNA (0.44) LMNACA12CA1CA2CA3
SCHEMBL19862711 0.70 ELANE (0.53) ELANEMEN1KMT2AL3MBTL1MAPK1

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
US-20180043066-A1 MACROINITIATORS FOR HYDROPHILIC COATINGS ON LATEX AND APPLICATIONS THEREOF TRUSTEES OF BOSTON UNIVERSITY (US) 2018-02-15 US disclosed