SCHEMBL24739697

SCHEMBL24739697

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)Nc2ccncc2)C7=O)C(=O)N(CC(=O)Nc2ccncc2)C3=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
LMNA P02545 3/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GALR3 O60755 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
EPHX2 P34913 1/20 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
SCHEMBL24739641 0.90 HTT (0.46) LMNAHTTMAPTEPHX2
SCHEMBL24739725 0.87 POLB (0.37) ALDH1A1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL24739637 0.87 BCHE (0.43) ALDH1A1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL24740753 0.86 ALDH1A1 (0.40) ALDH1A1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL24739857 0.85 LPAR1 (0.43) ALDH1A1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL24739986 0.84 LMNA (0.40) ALDH1A1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL24739691 0.83 ALDH1A1 (0.43) ALDH1A1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL24740727 0.82 ALDH1A1 (0.42) ALDH1A1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL24739696 0.82 ALDH1A1 (0.37) ALDH1A1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL24739828 0.81 ALDH1A1 (0.41) ALDH1A1LMNACYP1A2CYP3A4CYP2D6

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