SCHEMBL29068679

SCHEMBL29068679

CC(C)(CCO)OC(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
SRD5A2 P31213 2/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
RXRA P19793 5/20 0.39
RXRB P28702 5/20 0.39
NR4A2 P43354 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
RXRG P48443 2/20 0.38
RARB P10826 1/20 0.38
RARG P13631 1/20 0.38
ELANE P08246 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL12559789 0.93 ELANE (0.41) ALDH1A1MAPTTSHRCA1CA2
SCHEMBL28561084 0.86 ALDH1A1 (0.47) ALDH1A1MAPTTP53TSHRSRD5A2
SCHEMBL11949585 0.83 TSHR (0.44) ALDH1A1MAPTTSHRCA1CA2
SCHEMBL12638979 0.82 ALDH1A1 (0.52) ALDH1A1MAPTTP53TSHRSRD5A2
SCHEMBL18730285 0.81 RAB9A (0.38) ALDH1A1MAPTTSHRCA1CA2
SCHEMBL3093189 0.79 MAPT (0.45) ALDH1A1MAPTTP53TSHRSRD5A2
SCHEMBL23380422 0.78 ELANE (0.45) ALDH1A1MAPTTSHRCA1CA2
SCHEMBL263461 0.78 TDP1 (0.58) ALDH1A1MAPTTP53TSHRSMN1; SMN2
SCHEMBL24138177 0.78 MAPT (0.44) ALDH1A1MAPTTP53TSHRSRD5A2
SCHEMBL527251 0.77 CA1 (0.54) ALDH1A1MAPTTP53TSHRSRD5A2

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-116745349-A Process for depolymerizing polyesters 可隆工业株式会社 2023-09-12 CN disclosed
CN-116710509-A Method for decoloring polyester and method for depolymerizing polyester comprising same 可隆工业株式会社 2023-09-05 CN disclosed