SCHEMBL29978779

SCHEMBL29978779

CC(C)(C)c1ccc(C(O)(c2ccc(C(C)(C)C)cc2C(C)(C)C)C(CO)(CO)CO)c(C(C)(C)C)c1.[P].[P]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
ALOX15 P16050 2/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
RECQL P46063 1/20 0.34
SCN10A Q9Y5Y9 2/20 0.34
CYP2D6 P10635 2/20 0.33
ACHE P22303 2/20 0.33
LMNA P02545 2/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
TYR P14679 1/20 0.32
CYP1A2 P05177 3/20 0.32
CYP2C19 P33261 3/20 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
SCHEMBL29556111 0.98 ALDH1A1 (0.38) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL29405018 0.93 ALDH1A1 (0.35) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL29600963 0.93 ALDH1A1 (0.35) ALDH1A1ALOX15HPGDHSD17B10TDP1
Phosphoric Acid SCHEMBL29518347 0.91 ALDH1A1 (0.33) ALDH1A1ALOX15HPGDHSD17B10TDP1
Phosphoric Acid SCHEMBL29518461 0.91 ALDH1A1 (0.33) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL30892664 0.90 ALDH1A1 (0.35) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL29358274 0.89 ALDH1A1 (0.33) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL29699589 0.89 ALDH1A1 (0.33) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL29942291 0.89 ALDH1A1 (0.33) ALDH1A1ALOX15HPGDHSD17B10TDP1
SCHEMBL29847150 0.88 ALDH1A1 (0.32) ALDH1A1ALOX15HPGDHSD17B10TDP1

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
WO-2022163776-A1 POLYMER FILM, MULTILAYER BODY AND METHOD FOR PRODUCING SAME 富士フイルム株式会社 2022-08-04 WO disclosed