SCHEMBL16996444

SCHEMBL16996444

CC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc31)c1ccccc1-2

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 5/20 0.34
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PLA2G1B P04054 1/20 0.33
NFKB1 P19838 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
PTGES O14684 1/20 0.31
ALOX5 P09917 1/20 0.31
RXRA P19793 1/20 0.30
RXRB P28702 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
SCHEMBL16996452 1.00 PDK2 (0.34) PDK2NPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL24120803 1.00 PDK2 (0.34) PDK2NPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL23485165 0.99 PDK2 (0.36) PDK2NPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL23485516 0.99 PDK2 (0.36) PDK2NPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL23485496 0.99 PDK2 (0.35) PDK2NPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL22744994 0.99 PDK2 (0.35) PDK2NPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL24078290 0.98 PDK2 (0.38) PDK2NPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL23485494 0.98 PDK2 (0.36) PDK2NPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL23485529 0.98 PDK2 (0.36) PDK2NPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL23485315 0.98 PDK2 (0.36) PDK2NPC1ALDH1A1PLA2G1BNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230210002-A1 COMPOSITION, AND ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2023-06-29 US disclosed
US-20230210002-A1 COMPOSITION, AND ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2023-06-29 US disclosed
US-20230036664-A1 ORGANIC ELECTROLUMINESCENCE DEVICE, LIGHT EMITTING DEVICE, ORGANIC ELECTROLUMINESCENCE DISPLAY DEVICE AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2023-02-02 US disclosed
US-11069861-B2 Mixture, organic electroluminescence device and electronic equipment IDEMITSU KOSAN CO., LTD. (JP) 2021-07-20 US disclosed
US-20210043850-A1 MIXTURE, ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC EQUIPMENT IDEMITSU KOSAN CO.,LTD. (JP) 2021-02-11 US disclosed
WO-2020237835-A1 SPIROBIFLUORENE ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE 南京高光半导体材料有限公司 2020-12-03 WO disclosed
US-20150228899-A1 ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2015-08-13 US disclosed
US-20150228899-A1 ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2015-08-13 US disclosed