SCHEMBL19862713

SCHEMBL19862713

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

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ELANE P08246 9/20 0.54
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 2/20 0.46
RAB9A P51151 1/20 0.46
ACACB O00763 1/20 0.42
ACACA Q13085 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 1/20 0.41
HTT P42858 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL19862709 0.87 ELANE (0.61) ELANESMN1; SMN2ALDH1A1RAB9AL3MBTL1
SCHEMBL19862712 0.81 ELANE (0.54) ELANESMN1; SMN2ALDH1A1RAB9AL3MBTL1
SCHEMBL825544 0.81 ELANE (0.71) ELANESMN1; SMN2ALDH1A1RAB9AL3MBTL1
SCHEMBL19862711 0.81 ELANE (0.53) ELANESMN1; SMN2ALDH1A1RAB9AL3MBTL1
SCHEMBL9888810 0.76 ELANE (0.43) ELANEALDH1A1RAB9AL3MBTL1CYP1A2
SCHEMBL19862710 0.75 ELANE (0.46) ELANESMN1; SMN2ALDH1A1RAB9AHTT
SCHEMBL17834010 0.74 ELANE (0.54) ELANESMN1; SMN2MEN1KMT2A
SCHEMBL16406554 0.74 ELANE (0.61) ELANEALDH1A1RAB9AL3MBTL1MEN1
SCHEMBL20382904 0.74 THRB (0.41) SMN1; SMN2ALDH1A1RAB9AMEN1MAPT
SCHEMBL10483728 0.73 ELANE (0.62) ELANESMN1; SMN2ALDH1A1RAB9AL3MBTL1

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