SCHEMBL19862710

SCHEMBL19862710

CCCC[N+](C)(C)CCOC(=O)C(CC)CC(C)C(=O)Oc1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 9/20 0.46
ESR1 P03372 2/20 0.44
MLNR O43193 1/20 0.37
NR1I2 O75469 1/20 0.37
NR3C1 P04150 1/20 0.37
PGR P06401 1/20 0.37
ADRB2 P07550 1/20 0.37
CHRM2 P08172 1/20 0.37
ADRB1 P08588 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CHRM1 P11229 1/20 0.37
DRD2 P14416 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
CHRM3 P20309 1/20 0.37
MAOA P21397 1/20 0.37
CNR1 P21554 1/20 0.37
SLC6A2 P23975 1/20 0.37

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 0.83 ELANE (0.54) ELANESMN1; SMN2ALDH1A1LMNAMAPK1
SCHEMBL19862711 0.82 ELANE (0.53) ELANESMN1; SMN2ALDH1A1LMNAMAPK1
SCHEMBL19862709 0.80 ELANE (0.61) ELANESMN1; SMN2ALDH1A1LMNAMAPK1
SCHEMBL19862713 0.75 ELANE (0.54) ELANESMN1; SMN2ALDH1A1HTTRAB9A
SCHEMBL825544 0.74 ELANE (0.71) ELANESMN1; SMN2ALDH1A1LMNAMAPK1
SCHEMBL19862715 0.74 ELANE (0.43) ELANEESR1SMN1; SMN2ALDH1A1HTT
SCHEMBL9888810 0.72 ELANE (0.43) ELANEALDH1A1LMNAMAPK1FAAH
SCHEMBL26478260 0.71 ELANE (0.55) ELANELMNACYP3A4FAAH
SCHEMBL20125693 0.70 ESR1 (0.66) ESR1MLNRNR1I2NR3C1PGR
SCHEMBL20125694 0.70 ESR1 (0.66) ESR1MLNRNR1I2NR3C1PGR

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