SCHEMBL24739637

SCHEMBL24739637

C=C(C)C(=O)NCCc1ccc(Oc2cc3c4c(cc(Oc5ccc(CCNC(=O)C(=C)C)cc5)c5c6c(Oc7ccc(CCNC(=O)C(=C)C)cc7)cc7c8c(cc(Oc9ccc(CCNC(=O)C(=C)C)cc9)c(c2c45)c86)C(=O)N(CC(=O)Nc2cccc(C)c2)C7=O)C(=O)N(CC(=O)Nc2cccc(C)c2)C3=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.43
CES1 P23141 1/20 0.43
LMNA P02545 2/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2D6 P10635 1/20 0.40
KMT2A Q03164 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 2/20 0.39
POLB P06746 3/20 0.39
PABPC1 P11940 1/20 0.38
EIF4H Q15056 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL24739641 0.87 HTT (0.46) LMNAMAPTEPHX2
SCHEMBL24739697 0.87 ALDH1A1 (0.37) LMNAALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL24740753 0.85 ALDH1A1 (0.40) LMNAALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL24740727 0.84 ALDH1A1 (0.42) LMNAALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL24739857 0.84 LPAR1 (0.43) LMNAALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL24739691 0.83 ALDH1A1 (0.43) LMNAALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL24739986 0.82 LMNA (0.40) LMNAALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL24739696 0.82 ALDH1A1 (0.37) LMNAALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL24739828 0.80 ALDH1A1 (0.41) LMNAALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL24740212 0.79 ALDH1A1 (0.44) LMNAALDH1A1MAPTCYP1A2CYP3A4

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