SCHEMBL23723924

SCHEMBL23723924

CCCCC(CC)CC1(CC(CC)CCCC)c2cc(C(C)(C)C)ccc2-c2ccc(C(C)(C)C)cc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
NPC1 O15118 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
ATG4B Q9Y4P1 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP3A4 P08684 2/20 0.31
TSHR P16473 2/20 0.31
REN P00797 2/20 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
SCHEMBL30127573 1.00 ALDH1A1 (0.33) ALDH1A1L3MBTL1NPC1PLA2G1BNFKB1
SCHEMBL24379658 0.84 LMNA (0.31)
SCHEMBL24379660 0.82
SCHEMBL5347840 0.80 ALDH1A1 (0.33) ALDH1A1L3MBTL1TDP1MEN1MAPT
SCHEMBL6032873 0.80 ALDH1A1 (0.37) ALDH1A1L3MBTL1NPC1RAB9ATDP1
SCHEMBL29539705 0.80 ALDH1A1 (0.33) ALDH1A1L3MBTL1NPC1NFKB1RAB9A
SCHEMBL3814580 0.80 ALDH1A1 (0.40) ALDH1A1L3MBTL1TDP1MEN1MAPT
SCHEMBL31388556 0.80 ALDH1A1 (0.40) ALDH1A1L3MBTL1TDP1MEN1MAPT
SCHEMBL14219837 0.80 ALDH1A1 (0.33) ALDH1A1L3MBTL1TDP1MEN1MAPT
SCHEMBL679081 0.80 ALDH1A1 (0.33) ALDH1A1L3MBTL1NPC1NFKB1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230021024-A1 TRACERS AND METHOD OF MARKING LIQUIDS TRACERCO LIMITED (GB) 2023-01-19 US disclosed
EP-4100495-A1 TRACERS AND METHOD OF MARKING LIQUIDS Johnson Matthey Public Limited Company (GB) 2022-12-14 EP disclosed
WO-2021156598-A1 TRACERS AND METHOD OF MARKING LIQUIDS JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2021-08-12 WO disclosed