SCHEMBL29643273

SCHEMBL29643273

CC(C)(C)CC(C)(C)c1ccccc1OP(Oc1ccccc1C(C)(C)CC(C)(C)C)Oc1ccccc1C(C)(C)CC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
SHBG P04278 1/20 0.33
ALDH1A1 P00352 2/20 0.33
RIPK1 Q13546 1/20 0.33
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
NR3C2 P08235 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP3A4 P08684 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NR3C1 P04150 1/20 0.31

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
SCHEMBL9008234 1.00 TP53 (0.33) TP53MAPTSHBGALDH1A1RIPK1
SCHEMBL9008248 0.86 SHBG (0.35) TP53MAPTSHBGALDH1A1RIPK1
SCHEMBL380981 0.83 MAPT (0.34) TP53MAPTALDH1A1RIPK1KDM4E
SCHEMBL29405543 0.83 MAPT (0.34) TP53MAPTALDH1A1RIPK1KDM4E
SCHEMBL899652 0.82 RIPK1 (0.39) MAPTSHBGALDH1A1RIPK1KDM4E
SCHEMBL6854990 0.80 CNR2 (0.42) CYP1A2CYP2C19
SCHEMBL9862496 0.78 CNR2 (0.44) MAPTCYP3A4
SCHEMBL9008168 0.78 CNR2 (0.44) MAPTCYP3A4
SCHEMBL380498 0.78 MAPT (0.44) TP53MAPTALDH1A1KDM4ECYP1A2
SCHEMBL29405808 0.78 MAPT (0.44) TP53MAPTALDH1A1KDM4ECYP1A2

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-114957625-A Biodegradable polyester based on dodecanedioic acid and butanediol, and preparation method and application thereof 天津工业大学 2022-08-30 CN disclosed
CN-114524923-A Biodegradable polyester based on dodecanedioic acid and ethylene glycol and preparation method and application thereof 天津工业大学 2022-05-24 CN disclosed