SCHEMBL19862711

SCHEMBL19862711

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

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 8/20 0.53
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 4/20 0.40
MAPT P10636 4/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HSP90AA1 P07900 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
MAPK1 P28482 1/20 0.39
GAA P10253 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 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
SCHEMBL19862712 0.90 ELANE (0.54) ELANEALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL19862709 0.86 ELANE (0.61) ELANEALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL19862715 0.83 ELANE (0.43) ELANEALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL19862710 0.82 ELANE (0.46) ELANEALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL19862713 0.81 ELANE (0.54) ELANEALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL825544 0.80 ELANE (0.71) ELANEALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL9888810 0.77 ELANE (0.43) ELANEALDH1A1RAB9ALMNAMAPT
SCHEMBL17834010 0.76 ELANE (0.54) ELANESMN1; SMN2KMT2AMEN1PTGS2
SCHEMBL19862714 0.75 ELANE (0.41) ELANEALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL19498782 0.74 CA1 (0.34)

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