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SCHEMBL24739652

SCHEMBL24739652

O=C(NCC1CO1)c1cccc(-c2cccc(Oc3cc4c5c(cc(Oc6cccc(-c7cccc(C(=O)NCC8CO8)c7)c6)c6c7c(Oc8cccc(-c9cccc(C(=O)NCC%10CO%10)c9)c8)cc8c9c(cc(Oc%10cccc(-c%11cccc(C(=O)NCC%12CO%12)c%11)c%10)c(c3c56)c97)C(=O)N(C(Cc3ccncc3)C(=O)N(Cc3ccccc3)Cc3ccccc3)C8=O)C(=O)N(C(Cc3ccncc3)C(=O)N(Cc3ccccc3)Cc3ccccc3)C4=O)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.36
▸ GPR132 Q9UNW8 2/20 0.35
▸ AURKA O14965 2/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ TSHR P16473 1/20 0.34
▸ ROCK2 O75116 4/20 0.33
▸ BRD4 O60885 2/20 0.32
▸ EPHX1 P07099 1/20 0.32
▸ CHRM3 P20309 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ GRK2 P25098 2/20 0.31
▸ PRKCA P17252 1/20 0.31
▸ LOX P28300 1/20 0.30
▸ LOXL2 Q9Y4K0 1/20 0.30
▸ GAA P10253 1/20 0.30

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
SCHEMBL24739765 0.94 RAB9A (0.35) RAB9AGPR132AURKAALDH1A1ROCK2
SCHEMBL24740017 0.92 AURKA (0.35) RAB9AGPR132AURKAALDH1A1ROCK2
SCHEMBL24739764 0.92 RAB9A (0.36) RAB9AGPR132AURKAALDH1A1TSHR
SCHEMBL24739612 0.90 AURKA (0.38) RAB9AGPR132AURKAALDH1A1TSHR
SCHEMBL24739732 0.90 GPR132 (0.39) RAB9AGPR132AURKAALDH1A1TSHR
SCHEMBL24739881 0.88 RAB9A (0.36) RAB9AAURKAALDH1A1ROCK2BRD4
SCHEMBL24739844 0.88 ALDH1A1 (0.36) RAB9AGPR132AURKAALDH1A1TSHR
SCHEMBL24740008 0.88 AURKA (0.35) RAB9AGPR132AURKAALDH1A1TSHR
SCHEMBL24739882 0.87 RAB9A (0.33) RAB9AGPR132AURKABRD4
SCHEMBL24739960 0.87 MAPT (0.36) RAB9AGPR132AURKAALDH1A1BRD4

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-20220390841-A1 COMPOUND, PHOTOSENSITIVE FLUORESCENT RESIN COMPOSITION COMPRISING SAME, COLOR CONVERSION FILM, BACKLIGHT UNIT, AND DISPLAY DEVICE LG CHEM, LTD. (KR) 2022-12-08 — — US disclosed