SCHEMBL24909239

SCHEMBL24909239

CSCCC(C(=O)N1CCN(CCO)CC1)N1C(=O)c2cc(Oc3ccc(C(C)(C)C)cc3)c3c4c(Oc5ccc(C(C)(C)C)cc5)cc5c6c(cc(Oc7ccc(C(C)(C)C)cc7)c(c7c(Oc8ccc(C(C)(C)C)cc8)cc(c2c37)C1=O)c64)C(=O)N(C(CCSC)C(=O)N1CCN(CCO)CC1)C5=O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
MAPK1 P28482 1/20 0.35
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
FAAH O00519 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DNMT1 P26358 3/20 0.32
ALOX15 P16050 2/20 0.32
HSD17B10 Q99714 1/20 0.32
MDM2 Q00987 1/20 0.32
TSHR P16473 2/20 0.32
KDM4E B2RXH2 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
SCHEMBL24705073 0.85 FAAH (0.41) MAPK1ALDH1A1MEN1KMT2AFAAH
SCHEMBL24908685 0.81 FNTA (0.37) FNTAFNTBMAPK1ALDH1A1MEN1
SCHEMBL24705456 0.81 FAAH (0.38) MAPK1HRH2HRH1ALDH1A1MEN1
SCHEMBL24909003 0.79 MAPK1 (0.38) MAPK1ALDH1A1MEN1KMT2AGAA
SCHEMBL24705457 0.79 FAAH (0.36) MAPK1HRH2HRH1ALDH1A1MEN1
SCHEMBL24909204 0.77 NPC1 (0.46) ALDH1A1KMT2AGAASMN1; SMN2MDM2
SCHEMBL24908711 0.74 POLB (0.46) MAPK1HRH2HRH1ALDH1A1MEN1
SCHEMBL24909637 0.74 DNMT1 (0.44) MAPK1ALDH1A1MEN1KMT2AGAA
SCHEMBL24909392 0.73 POLB (0.40) MAPK1ALDH1A1MEN1KMT2AGAA
SCHEMBL24909001 0.72 MAPK1 (0.41) MAPK1ALDH1A1MEN1KMT2AGAA

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