SCHEMBL21881058

SCHEMBL21881058

CC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc31)c1cc(C(C)(C)C)ccc1-2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PLA2G1B P04054 1/20 0.38
NFKB1 P19838 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
PDK2 Q15119 3/20 0.37
MLNR O43193 1/20 0.31
NR1I2 O75469 1/20 0.31
CHRM2 P08172 1/20 0.31
ADRB1 P08588 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31

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
SCHEMBL21881056 0.96 NPC1 (0.35) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL23485656 0.96 PDK2 (0.38) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL24387972 0.96 PDK2 (0.38) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL22744993 0.95 PDK2 (0.39) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL808278 0.95 PDK2 (0.37) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL25121726 0.94 PDK2 (0.34) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL23600875 0.94 NPC1 (0.34) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL16996444 0.93 PDK2 (0.34) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL25121484 0.93 PDK2 (0.35) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL24120803 0.93 PDK2 (0.34) NPC1ALDH1A1PLA2G1BNFKB1CASP3

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-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-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