SCHEMBL19862715

SCHEMBL19862715

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.43
ESRRB O95718 4/20 0.42
ESR1 P03372 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.36
GBA1 P04062 2/20 0.36
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.35

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 0.83 ELANE (0.53) ELANESMN1; SMN2MEN1MAPTHTT
SCHEMBL19862712 0.80 ELANE (0.54) ELANESMN1; SMN2MEN1MAPTHTT
SCHEMBL19862709 0.77 ELANE (0.61) ELANESMN1; SMN2MEN1MAPTHTT
SCHEMBL19862710 0.74 ELANE (0.46) ELANEESR1SMN1; SMN2HTTALDH1A1
SCHEMBL19862713 0.72 ELANE (0.54) ELANESMN1; SMN2MEN1MAPTHTT
SCHEMBL825544 0.71 ELANE (0.71) ELANESMN1; SMN2MEN1MAPTHTT
SCHEMBL16406554 0.70 ELANE (0.61) ELANEESRRBMEN1KMT2AALDH1A1
SCHEMBL9888810 0.69 ELANE (0.43) ELANEMEN1MAPTKMT2AALDH1A1
SCHEMBL17834010 0.68 ELANE (0.54) ELANEESRRBSMN1; SMN2MEN1KMT2A
SCHEMBL26311013 0.67 ATM (0.39) ELANESMN1; SMN2MEN1MAPTKMT2A

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