SCHEMBL19862712

SCHEMBL19862712

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

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ELANE P08246 10/20 0.54
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 1/20 0.40
MAPT P10636 2/20 0.38
ABCB1 P08183 1/20 0.38
PPARA Q07869 1/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 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
SCHEMBL19862711 0.90 ELANE (0.53) ELANEGAASMN1; SMN2ALDH1A1RAB9A
SCHEMBL19862709 0.87 ELANE (0.61) ELANEGAASMN1; SMN2ALDH1A1RAB9A
SCHEMBL19862714 0.84 ELANE (0.41) ELANEGAASMN1; SMN2ALDH1A1RAB9A
SCHEMBL19862710 0.83 ELANE (0.46) ELANESMN1; SMN2ALDH1A1RAB9ALMNA
SCHEMBL19862713 0.81 ELANE (0.54) ELANESMN1; SMN2ALDH1A1RAB9AL3MBTL1
SCHEMBL825544 0.81 ELANE (0.71) ELANEGAASMN1; SMN2ALDH1A1RAB9A
SCHEMBL19862715 0.80 ELANE (0.43) ELANESMN1; SMN2ALDH1A1RAB9AMAPT
SCHEMBL9888810 0.78 ELANE (0.43) ELANEGAAALDH1A1RAB9ALMNA
SCHEMBL17834010 0.77 ELANE (0.54) ELANESMN1; SMN2PPARAMEN1KMT2A
SCHEMBL16406554 0.74 ELANE (0.61) ELANEGAAALDH1A1RAB9ALMNA

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