SCHEMBL24908712

SCHEMBL24908712

CCN(C(=O)C(C(C)C)N1C(=O)c2cc(Oc3ccc(C)cc3C)c3c4c(Oc5ccc(C)cc5C)cc5c6c(cc(Oc7ccc(C)cc7C)c(c7c(Oc8ccc(C)cc8C)cc(c2c37)C1=O)c64)C(=O)N(C(C(=O)N(CC)C1CCCCC1)C(C)C)C5=O)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.39
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
LMNA P02545 2/20 0.35
MCOLN3 Q8TDD5 1/20 0.34
HPGD P15428 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.32
HTT P42858 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
BRD4 O60885 1/20 0.32
MAPK1 P28482 1/20 0.31
ATM Q13315 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TP53 P04637 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL24909175 0.79 LMNA (0.36) TSHRMEN1KMT2ALMNAHPGD
SCHEMBL24909199 0.78 SMN1; SMN2 (0.36) TSHRMEN1KMT2ALMNAMCOLN3
SCHEMBL24705383 0.78
SCHEMBL24909295 0.78 POLB (0.38) MEN1KMT2ALMNAHPGDALDH1A1
SCHEMBL24909023 0.73 HPGD (0.44) TSHRKMT2ALMNAHPGDALDH1A1
SCHEMBL24908752 0.73 TSHR (0.37) TSHRMEN1KMT2AALDH1A1HTT
SCHEMBL24908726 0.73 LMNA (0.45) TSHRMEN1KMT2ALMNAHPGD
SCHEMBL24909313 0.73 POLB (0.37) TSHRMEN1KMT2ALMNAHPGD
SCHEMBL24909216 0.71 KMT2A (0.33) MEN1KMT2ALMNAHPGD
SCHEMBL24908669 0.71 MCL1 (0.41) ALDH1A1TDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230023648-A1 COMPOUND, PHOTOSENSITIVE FLUORESCENT RESIN COMPOSITION COMPRISING SAME, COLOR CONVERSION FILM PREPARED USING SAME, BACKLIGHT UNIT, AND DISPLAY DEVICE LG CHEM, LTD (KR) 2023-01-26 US disclosed