SCHEMBL24909304

SCHEMBL24909304

COc1cccc(OC(=O)C(c2cccnc2)N2C(=O)c3cc(Oc4ccc(C(C)C)cc4)c4c5c(Oc6ccc(C(C)C)cc6)cc6c7c(cc(Oc8ccc(C(C)C)cc8)c(c8c(Oc9ccc(C(C)C)cc9)cc(c3c48)C2=O)c75)C(=O)N(C(C(=O)Oc2cccc(OC)c2)c2cccnc2)C6=O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.37
CYP2C9 P11712 2/20 0.37
CYP1A2 P05177 1/20 0.37
GAA P10253 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RORC P51449 2/20 0.35
ACACB O00763 1/20 0.35
TSHR P16473 2/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NPBWR1 P48145 1/20 0.34
MCHR1 Q99705 1/20 0.34
ROCK1 Q13464 3/20 0.34
MAP4K4 O95819 2/20 0.34
PRKCG P05129 2/20 0.34

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
SCHEMBL24908945 0.80 TNF (0.39) MAPTALDH1A1HSD17B10NPBWR1MAPK1
SCHEMBL24909034 0.76 KCNA5 (0.38) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL24908955 0.75 TNF (0.35) MAPTMAPK1SMN1; SMN2
SCHEMBL24909093 0.74 ABHD6 (0.38)
SCHEMBL24909124 0.72 SLC6A3 (0.34) GAATDP1TSHRMCHR1
SCHEMBL24909255 0.72 KMT2A (0.34) MAPTTDP1ALDH1A1HPGDPOLB
SCHEMBL24909059 0.71 ALDH1A1 (0.40) GAAMAPTTDP1ALDH1A1ALOX15
SCHEMBL24705262 0.71 ELANE (0.40) MAPTALDH1A1ACACBMAPK1POLB
SCHEMBL24909057 0.70 KMT2A (0.48) GAAMAPTALDH1A1HPGDNPSR1
SCHEMBL24908983 0.70 GLA (0.49) GAAMAPTALDH1A1HPGDRORC

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