SCHEMBL28797246

SCHEMBL28797246

C=C(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)OC(OC(=O)C(=C)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(OC(=O)C(=C)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OC(=O)C(=C)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
KMT2A Q03164 4/20 0.43
TSHR P16473 3/20 0.43
MAPK1 P28482 3/20 0.43
MEN1 O00255 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
BLM P54132 2/20 0.43
ATM Q13315 2/20 0.43
HIF1A Q16665 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MAPT P10636 2/20 0.43
USP2 O75604 1/20 0.43
CYP2D6 P10635 1/20 0.43
GAA P10253 6/20 0.42
LMNA P02545 3/20 0.42
GMNN O75496 1/20 0.41
GABBR2 O75899 1/20 0.41
TP53 P04637 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL95299 0.86 GAA (0.47) ALDH1A1KMT2ATSHRMAPK1MEN1
SCHEMBL993200 0.82 ALDH1A1 (0.41) ALDH1A1KMT2ATSHRMAPK1MEN1
SCHEMBL2674900 0.81 ALDH1A1 (0.47) ALDH1A1KMT2ATSHRMAPK1MEN1
SCHEMBL20982016 0.81 ALDH1A1 (0.51) ALDH1A1KMT2ATSHRMAPK1MEN1
Ethane SCHEMBL8447569 0.80 ALDH1A1 (0.46) ALDH1A1KMT2ATSHRMAPK1MEN1
Methane SCHEMBL1234522 0.80 ALDH1A1 (0.46) ALDH1A1KMT2ATSHRMAPK1MEN1
SCHEMBL5422547 0.80 GAA (0.49) ALDH1A1KMT2ATSHRMAPK1MEN1
Methane SCHEMBL190573 0.80 ALDH1A1 (0.46) ALDH1A1KMT2ATSHRMAPK1MEN1
Formaldehyde SCHEMBL8588342 0.80 ALDH1A1 (0.46) ALDH1A1KMT2ATSHRMAPK1MEN1
SCHEMBL1576748 0.80 ALDH1A1 (0.46) ALDH1A1KMT2ATSHRMAPK1MEN1

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
CN-114828816-A Composition for conditioning keratin fibers 莱雅公司 2022-07-29 CN disclosed