SCHEMBL24739786

SCHEMBL24739786

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)N(Cc2ccccc2)Cc2ccccc2)C7=O)C(=O)N(CC(=O)N(Cc2ccccc2)Cc2ccccc2)C3=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLAAT3 P53816 6/20 0.41
PLAAT5 Q96KN8 6/20 0.41
PLAAT2 Q9NWW9 6/20 0.41
PLAAT4 Q9UL19 6/20 0.41
ALDH1A1 P00352 3/20 0.39
LPAR1 Q92633 5/20 0.38
LPAR5 Q9H1C0 4/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
LPAR3 Q9UBY5 1/20 0.37
EPHX2 P34913 1/20 0.37
TP53 P04637 1/20 0.36

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
SCHEMBL24740740 0.93 L3MBTL1 (0.42) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL24739828 0.90 ALDH1A1 (0.41) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL24739756 0.87 ALDH1A1 (0.38) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL24739857 0.87 LPAR1 (0.43) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL24739691 0.86 ALDH1A1 (0.43) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL24739593 0.86 PLAAT3 (0.40) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL24739615 0.84 POLB (0.41) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL24739631 0.84 APOBEC3A (0.35) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL24740753 0.83 ALDH1A1 (0.40) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL24739986 0.82 LMNA (0.40) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9

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