SCHEMBL20649869

SCHEMBL20649869

CC(C)c1cccc2c1sc1c(N(I)c3ccc(OC(F)(F)F)cc3)cccc12

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.34
CASR P41180 2/20 0.32
P2RY1 P47900 2/20 0.31
TRPV1 Q8NER1 2/20 0.31
SLC6A4 P31645 1/20 0.30
CETP P11597 1/20 0.30
SCN10A Q9Y5Y9 2/20 0.30
P2RY2 P41231 1/20 0.30
P2RY14 Q15391 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL21020587 0.87 ACP1 (0.37) ACP1CASRP2RY1SLC6A4P2RY2
SCHEMBL20649833 0.85 SLC6A4 (0.34) ACP1SLC6A4
SCHEMBL20649860 0.85
SCHEMBL20650436 0.83
SCHEMBL20650817 0.83 ACP1 (0.32) ACP1P2RY1SLC6A4
SCHEMBL20649786 0.83 KCNK3 (0.38) P2RY1P2RY2P2RY14
SCHEMBL20650245 0.82 GRIN2B (0.32) ACP1
SCHEMBL20650193 0.82
SCHEMBL20649874 0.81 SIGMAR1 (0.33) TRPV1
SCHEMBL20650192 0.81

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
EP-3428152-B1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEMICAL LTD (KR) 2021-11-03 EP disclosed
EP-3428152-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG Chem, Ltd. (KR) 2019-01-16 EP disclosed