SCHEMBL24739724

SCHEMBL24739724

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)Oc2ccccc2OC)C7=O)C(=O)N(CC(=O)Oc2ccccc2OC)C3=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
MAPT P10636 2/20 0.50
LMNA P02545 1/20 0.44
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
MAPK1 P28482 1/20 0.41
POLB P06746 2/20 0.39
PLAAT3 P53816 1/20 0.38
PLAAT5 Q96KN8 1/20 0.38
PLAAT2 Q9NWW9 1/20 0.38
PLAAT4 Q9UL19 1/20 0.38
MEN1 O00255 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 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
SCHEMBL24739593 0.86 PLAAT3 (0.40) ALDH1A1MAPTLMNACYP1A2CYP3A4
SCHEMBL24739725 0.86 POLB (0.37) ALDH1A1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL24739857 0.85 LPAR1 (0.43) ALDH1A1LMNAKMT2ACYP1A2CYP3A4
SCHEMBL24740212 0.84 ALDH1A1 (0.44) ALDH1A1MAPTLMNAKMT2ACYP1A2
SCHEMBL24740216 0.83 ALDH1A1 (0.35) ALDH1A1LMNAKMT2ACYP1A2CYP3A4
SCHEMBL24739691 0.83 ALDH1A1 (0.43) ALDH1A1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL24740215 0.83 ALDH1A1 (0.35) ALDH1A1LMNAKMT2ACYP1A2CYP3A4
SCHEMBL24740753 0.83 ALDH1A1 (0.40) ALDH1A1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL24739858 0.82 PIN1 (0.40) ALDH1A1LMNAKMT2ACYP1A2CYP3A4
SCHEMBL24739828 0.81 ALDH1A1 (0.41) ALDH1A1MAPTLMNACYP1A2CYP3A4

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