SCHEMBL24739725

SCHEMBL24739725

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)Oc2ccncc2)C7=O)C(=O)N(CC(=O)Oc2ccncc2)C3=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
ALDH1A1 P00352 4/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 2/20 0.34
RAB9A P51151 1/20 0.33
EPHX2 P34913 1/20 0.33
PLAAT3 P53816 3/20 0.33
PLAAT5 Q96KN8 3/20 0.33
PLAAT2 Q9NWW9 3/20 0.33
PLAAT4 Q9UL19 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
ABL1 P00519 1/20 0.32
RIN1 Q13671 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL24739697 0.87 ALDH1A1 (0.37) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL24739724 0.86 ALDH1A1 (0.50) POLBALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL24739857 0.86 LPAR1 (0.43) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL24740212 0.84 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL24740753 0.83 ALDH1A1 (0.40) POLBALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL24739858 0.83 PIN1 (0.40) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL24739593 0.83 PLAAT3 (0.40) POLBALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL24740216 0.82 ALDH1A1 (0.35) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL24739828 0.82 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL24739986 0.81 LMNA (0.40) POLBALDH1A1CYP1A2CYP3A4CYP2D6

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