SCHEMBL24909281

SCHEMBL24909281

CCc1cccc(Oc2cc3c4c(cc(Oc5cccc(CC)c5)c5c6c(Oc7cccc(CC)c7)cc7c8c(cc(Oc9cccc(CC)c9)c(c2c45)c86)C(=O)N(C(Cc2cccnc2)C(=O)N(CCO)CCO)C7=O)C(=O)N(C(Cc2cccnc2)C(=O)N(CCO)CCO)C3=O)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
TSHR P16473 2/20 0.37
ROCK2 O75116 1/20 0.34
TP53 P04637 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
POLB P06746 1/20 0.32
GRM2 Q14416 1/20 0.32
PPARG P37231 1/20 0.32
NR2E3 Q9Y5X4 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
TRPV6 Q9H1D0 1/20 0.32
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TBXAS1 P24557 1/20 0.31
RORC P51449 1/20 0.31
MAPT P10636 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
SCHEMBL24909129 0.76 POLB (0.33) POLB
SCHEMBL24705466 0.76 POLB (0.41) ALDH1A1TSHRPOLBGAAHTT
SCHEMBL24705265 0.75 GRM2 (0.33) TSHRGRM2
SCHEMBL24704876 0.74 MAPK1 (0.34) TSHRPOLB
SCHEMBL24909218 0.74 POLB (0.40) ALDH1A1TSHRPOLBGAAHTT
SCHEMBL24908770 0.74 POLB (0.45) ALDH1A1TSHRPOLBGAAMAPT
SCHEMBL24909040 0.74 ALDH1A1 (0.37) ALDH1A1TSHRTP53POLBGRM2
SCHEMBL24705623 0.73 MAPK1 (0.33) TSHRGRM2
SCHEMBL24909200 0.73 ALDH1A1 (0.39) ALDH1A1TSHRPOLBGAASMN1; SMN2
SCHEMBL24909315 0.72 L3MBTL1 (0.42) ALDH1A1TSHRSLC6A2SLC6A4POLB

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