SCHEMBL19862714

SCHEMBL19862714

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.41
GAA P10253 1/20 0.37
MEN1 O00255 2/20 0.37
NPC1 O15118 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 2/20 0.35
LTA4H P09960 1/20 0.35
KDM4E B2RXH2 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
HRH4 Q9H3N8 1/20 0.34
ALDH1A1 P00352 3/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
STAT1 P42224 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL19862707 0.87 ELANE (0.49) ELANEMEN1NPC1KMT2AMAPT
SCHEMBL19862712 0.84 ELANE (0.54) ELANEGAAMEN1KMT2AMAPT
SCHEMBL19862711 0.75 ELANE (0.53) ELANEGAAMEN1KMT2AMAPT
SCHEMBL19862709 0.72 ELANE (0.61) ELANEGAAMEN1KMT2AMAPT
SCHEMBL19862713 0.70 ELANE (0.54) ELANEMEN1KMT2AMAPTL3MBTL1
SCHEMBL19862710 0.70 ELANE (0.46) ELANEALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL825544 0.70 ELANE (0.71) ELANEGAAMEN1NPC1KMT2A
SCHEMBL18054738 0.69 ELANE (0.34) ELANEGAAMEN1NPC1KMT2A
SCHEMBL19862715 0.67 ELANE (0.43) ELANEMEN1KMT2AMAPTALDH1A1
SCHEMBL16406554 0.66 ELANE (0.61) ELANEGAAMEN1NPC1KMT2A

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