SCHEMBL20137270

SCHEMBL20137270

CCCCCCCCCCCCCCCC[N+](C)(C)C(C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.44
GPR84 Q9NQS5 3/20 0.44
FFAR1 O14842 1/20 0.44
DNM1 Q05193 8/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 1/20 0.42
LCK P06239 1/20 0.42
PPARD Q03181 1/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
SLC22A1 O15245 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
SCHEMBL20137267 1.00 ACE2 (0.44) ACE2GPR84FFAR1DNM1HTT
SCHEMBL20137286 1.00 ACE2 (0.44) ACE2GPR84FFAR1DNM1HTT
Betaine SCHEMBL9721897 0.90 TSHR (0.45) ACE2GPR84FFAR1DNM1PPARD
SCHEMBL21538793 0.84 EPHX1 (0.58)
SCHEMBL3859153 0.82 CA1 (0.47) DNM1HTT
Hydrochloric Acid SCHEMBL11841632 0.81 CHRM1 (0.36) ACE2GPR84FFAR1MAPTSLC22A1
SCHEMBL8678264 0.78 GPR84 (0.42) ACE2GPR84FFAR1DNM1HTT
SCHEMBL4600625 0.78 TSHR (0.40) DNM1HTTSLC22A1
SCHEMBL4612413 0.78 TSHR (0.40) DNM1HTTSLC22A1
Hydrochloric Acid SCHEMBL10384087 0.77 TSHR (0.42) DNM1HTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10103345-B2 Quantum dot light-emitting diode and light-emitting display device using the diode LG DISPLAY CO., LTD. (KR) 2018-10-16 US disclosed
US-20180138434-A1 QUANTUM DOT LIGHT-EMITTING DIODE AND LIGHT-EMITTING DISPLAY DEVICE USING THE DIODE LG DISPLAY CO., LTD. (KR) 2018-05-17 US disclosed