SCHEMBL21881099

SCHEMBL21881099

CC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccc(Cl)cc31)c1cc(C(C)(C)C)ccc1-2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 10/20 0.49
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PLA2G1B P04054 1/20 0.44
NFKB1 P19838 1/20 0.44
CASP3 P42574 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
AKR1A1 P14550 1/20 0.41
AKR1B1 P15121 1/20 0.41
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
S100A4 P26447 1/20 0.35
P2RX1 P51575 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
SCHEMBL22797355 0.93 PDK2 (0.43) PDK2NPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL24406657 0.92 PDK2 (0.46) PDK2NPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL29501082 0.92 PDK2 (0.43) PDK2NPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL23485173 0.92 PDK2 (0.43) PDK2NPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL23485172 0.92 PDK2 (0.43) PDK2NPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL21215242 0.90 ALDH1A1 (0.52) PDK2NPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL25858113 0.90 ALDH1A1 (0.52) PDK2NPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL19934339 0.90 ALDH1A1 (0.52) PDK2NPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL30421958 0.90 ALDH1A1 (0.52) PDK2NPC1ALDH1A1PLA2G1BNFKB1
SCHEMBL22797336 0.89 PDK2 (0.43) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11864460-B2 Organic light emitting device LG CHEM, LTD. (KR) 2024-01-02 US disclosed
US-11864460-B2 Organic light emitting device LG CHEM, LTD. (KR) 2024-01-02 US disclosed
US-11711973-B2 Organic electronic device DUK SAN NEOLUX CO., LTD. (KR) 2023-07-25 US disclosed
US-11711973-B2 Organic electronic device DUK SAN NEOLUX CO., LTD. (KR) 2023-07-25 US disclosed
US-20230111469-A1 Organic Electronic Device DUK SAN NEOLUX CO., LTD. (KR) 2023-04-13 US disclosed
US-20210399223-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2021-12-23 US disclosed
WO-2020060280-A1 ORGANIC LIGHT EMITTING DEVICE 주식회사 엘지화학 2020-03-26 WO disclosed