SCHEMBL24908707

SCHEMBL24908707

CC(C)CC(C(=O)OC1CCCCC1)N1C(=O)c2cc(Oc3ccc(C(C)C)cc3)c3c4c(Oc5ccc(C(C)C)cc5)cc5c6c(cc(Oc7ccc(C(C)C)cc7)c(c7c(Oc8ccc(C(C)C)cc8)cc(c2c37)C1=O)c64)C(=O)N(C(CC(C)C)C(=O)OC1CCCCC1)C5=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
CYP19A1 P11511 1/20 0.35
KMT2A Q03164 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 2/20 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
ATM Q13315 1/20 0.35
PDE4A P27815 3/20 0.34
PDE4B Q07343 3/20 0.34
PDE4C Q08493 3/20 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
SCHEMBL24909058 0.86 CYP19A1 (0.36) CYP19A1KMT2ANPSR1MEN1PDE4A
SCHEMBL24739714 0.84 KDM4E (0.33) ALDH1A1KDM4EGLAHPGDTP53
SCHEMBL24705772 0.79 ALDH1A1 (0.36) ALDH1A1KDM4EGLAHPGDTP53
SCHEMBL24909574 0.79 DNMT1 (0.34) ALDH1A1KDM4EHPGDMAPTCYP19A1
SCHEMBL24704918 0.78 PDE4A (0.32) PDE4APDE4BPDE4CPDE4D
SCHEMBL24704705 0.78 MAPT (0.38) ALDH1A1KDM4EGLAHPGDTP53
SCHEMBL24908953 0.76 GAA (0.36) ALDH1A1MAPTCYP19A1NPSR1SMN1; SMN2
SCHEMBL24909100 0.76 GAA (0.37) ALDH1A1TP53KMT2ANPSR1SMN1; SMN2
SCHEMBL24909056 0.76 PDE4A (0.37) ALDH1A1KDM4ETP53MAPTCYP19A1
SCHEMBL24705626 0.74 MCL1 (0.45) ALDH1A1TP53MAPTKMT2AMCL1

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-20230023648-A1 COMPOUND, PHOTOSENSITIVE FLUORESCENT RESIN COMPOSITION COMPRISING SAME, COLOR CONVERSION FILM PREPARED USING SAME, BACKLIGHT UNIT, AND DISPLAY DEVICE LG CHEM, LTD (KR) 2023-01-26 US disclosed