SCHEMBL19862709

SCHEMBL19862709

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

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ELANE P08246 10/20 0.61
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 2/20 0.45
RAB9A P51151 2/20 0.45
ABCB1 P08183 1/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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 0.87 ELANE (0.54) ELANESMN1; SMN2ALDH1A1RAB9AABCB1
SCHEMBL19862713 0.87 ELANE (0.54) ELANESMN1; SMN2ALDH1A1RAB9AMAPT
SCHEMBL825544 0.86 ELANE (0.71) ELANESMN1; SMN2ALDH1A1RAB9AABCB1
SCHEMBL19862711 0.86 ELANE (0.53) ELANESMN1; SMN2ALDH1A1RAB9AGAA
SCHEMBL17834010 0.82 ELANE (0.54) ELANESMN1; SMN2MEN1KMT2A
SCHEMBL9888810 0.80 ELANE (0.43) ELANEALDH1A1RAB9AGAAMAPT
SCHEMBL19862710 0.80 ELANE (0.46) ELANESMN1; SMN2ALDH1A1RAB9AABCB1
SCHEMBL16406554 0.79 ELANE (0.61) ELANEALDH1A1RAB9AABCB1GAA
SCHEMBL10483706 0.77 ELANE (1.00) ELANESMN1; SMN2ALDH1A1RAB9AGAA
SCHEMBL18052314 0.77 ELANE (0.47) ELANEALDH1A1RAB9AGAAMAPT

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