SCHEMBL21868055

SCHEMBL21868055

CC1(C)c2ccccc2C2(c3ccccc3-c3ccccc32)c2ccc(-c3cccs3)cc21

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.56
▸ KCNH2 Q12809 1/20 0.44
▸ PGR P06401 1/20 0.42
▸ ALOX5 P09917 1/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ SLC6A11 P48066 1/20 0.40
▸ LPL P06858 1/20 0.38
▸ LIPG Q9Y5X9 1/20 0.38
▸ HDAC1 Q13547 7/20 0.37
▸ HDAC2 Q92769 7/20 0.37
▸ HDAC3 O15379 6/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ERN1 O75460 1/20 0.35
▸ PRMT6 Q96LA8 1/20 0.35
▸ ADORA3 P0DMS8 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
SCHEMBL21868318 0.94 PDK2 (0.52) PDK2KCNH2PGRALOX5PTGS1
SCHEMBL24293168 0.92 PDK2 (0.51) PDK2KCNH2PGRALOX5PTGS1
SCHEMBL21868266 0.88 PDK2 (0.65) PDK2KCNH2PGRALOX5PTGS1
SCHEMBL24647812 0.86 PDK2 (0.58) PDK2KCNH2PGRALOX5PTGS1
SCHEMBL21868187 0.86 PDK2 (0.44) PDK2KCNH2PGRALOX5PTGS1
SCHEMBL24647700 0.85 PDK2 (0.55) PDK2KCNH2PGRSLC6A11LPL
SCHEMBL10014418 0.83 PDK2 (0.57) PDK2KCNH2PGRALOX5PTGS1
SCHEMBL12306540 0.82 PDK2 (0.58) PDK2KCNH2PGRALOX5PTGS1
SCHEMBL21868560 0.81 PDK2 (0.42) PDK2KCNH2PGRALOX5PTGS1
SCHEMBL21867963 0.80 KCNH2 (0.41) PDK2KCNH2PGRALOX5PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230024114-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2023-01-26 — — US disclosed
US-20220376178-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2022-11-24 — — US disclosed
US-20220123218-A1 ORGANIC ELECTROLUMINESCENT DEVICE LG CHEM, LTD. (KR) 2022-04-21 — — US disclosed
WO-2020067823-A1 ORGANIC ELECTROLUMINESCENT ELEMENT 주식회사 엘지화학 2020-04-02 — — WO disclosed
Send feedback