SCHEMBL24909121

SCHEMBL24909121

O=C(NC(C(F)(F)F)C(F)(F)F)C(C1CCCCC1)N1C(=O)c2cc(Oc3ccc(-c4ccccc4)cc3)c3c4c(Oc5ccc(-c6ccccc6)cc5)cc5c6c(cc(Oc7ccc(-c8ccccc8)cc7)c(c7c(Oc8ccc(-c9ccccc9)cc8)cc(c2c37)C1=O)c64)C(=O)N(C(C(=O)NC(C(F)(F)F)C(F)(F)F)C1CCCCC1)C5=O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.36
MME P08473 2/20 0.33
ACE P12821 2/20 0.33
CPA1 P15085 2/20 0.33
ACE2 Q9BYF1 2/20 0.33
LHCGR P22888 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
FAAH O00519 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CTSS P25774 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
GHSR Q92847 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
SCHEMBL24909095 0.83 POLB (0.40) ALDH1A1
SCHEMBL24909039 0.76 EPHX2 (0.40) MEN1KMT2AALDH1A1
SCHEMBL24908740 0.73 ALDH1A1 (0.39) ALDH1A1CTSS
SCHEMBL24909572 0.71 SLC6A2 (0.36) KMT2AALDH1A1
SCHEMBL24908752 0.71 TSHR (0.37) MEN1KMT2AALDH1A1GHSR
SCHEMBL24909045 0.71 HTR1E (0.41) MEN1KMT2AALDH1A1
SCHEMBL24908696 0.71 NPSR1 (0.35)
SCHEMBL24908681 0.71 TP53 (0.42) KMT2AALDH1A1
SCHEMBL24908947 0.70 LMNA (0.45) KMT2AALDH1A1GHSR
SCHEMBL24909069 0.68 TP53 (0.40) MEN1KMT2AALDH1A1

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