SCHEMBL28814731

SCHEMBL28814731

O=C1C=Cc2cc3ccccc3cc2C1c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
MAPK1 P28482 2/20 0.37
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
HTR2B P41595 1/20 0.37
GAA P10253 2/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.30
IDO1 P14902 1/20 0.30

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
SCHEMBL17923379 0.79 ALOX12 (0.31) LMNATP53GAA
SCHEMBL8738128 0.74 MAPT (0.54) LMNAMAPK1MAPTTP53CYP1A2
SCHEMBL3083806 0.72
SCHEMBL14095538 0.66 MAPT (0.45) LMNAMAPK1MAPTTP53CYP1A2
SCHEMBL12550553 0.66 CACNB4 (0.37) LMNAMAPTTP53CYP3A4ALDH1A1
SCHEMBL11051745 0.66 GRIN2D (0.42) LMNAMAPTCYP1A2CYP3A4ALDH1A1
SCHEMBL9228626 0.65 CYP2A6 (0.47) MAPK1MAPTTP53CYP1A2CYP3A4
SCHEMBL30163549 0.64 MAPT (0.43) LMNAMAPK1MAPTTP53CYP1A2
SCHEMBL27861333 0.64 LMNA (0.36) LMNAMAPK1MAPTTP53CYP1A2
SCHEMBL3954487 0.64 GRIN2D (0.41) LMNAMAPTTP53CYP3A4ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115501172-A Gel formulations for topical drug delivery 丹麦技术大学 2022-12-23 CN disclosed
CN-107249570-B Gel formulations for topical drug delivery 丹麦技术大学 2022-08-09 CN disclosed