SCHEMBL29496293

SCHEMBL29496293

CC(C=O)=CCC(=O)C1=C(C)CCCC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.39
ALDH1A1 P00352 10/20 0.39
CYP3A4 P08684 6/20 0.39
APP P05067 3/20 0.39
ALOX15 P16050 3/20 0.39
SNCA P37840 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 2/20 0.39
TP53 P04637 1/20 0.39
NR2E1 Q9Y466 1/20 0.39
MAPT P10636 7/20 0.38
HSD17B10 Q99714 2/20 0.38
SLCO1B3 Q9NPD5 2/20 0.38
SLCO1B1 Q9Y6L6 2/20 0.38
HPGD P15428 1/20 0.38
HAO1 Q9UJM8 1/20 0.37
RXRA P19793 6/20 0.37
RARA P10276 6/20 0.37
RARB P10826 6/20 0.37
RARG P13631 6/20 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
SCHEMBL11447488 0.79 CYP1A2 (0.43) CYP1A2ALDH1A1CYP3A4APPALOX15
SCHEMBL11328784 0.75 HAO1 (0.42) CYP1A2ALDH1A1CYP3A4APPALOX15
SCHEMBL17129798 0.75 CYP1A2 (0.44) CYP1A2ALDH1A1CYP3A4APPALOX15
SCHEMBL113634 0.75 RARB (0.41) CYP1A2ALDH1A1CYP3A4APPALOX15
SCHEMBL110933 0.75 RARB (0.41) CYP1A2ALDH1A1CYP3A4APPALOX15
SCHEMBL11467133 0.74 HAO1 (0.41) CYP1A2ALDH1A1CYP3A4APPALOX15
Methyl Alcohol SCHEMBL28107104 0.74 RARB (0.41) CYP1A2ALDH1A1CYP3A4APPALOX15
SCHEMBL28107465 0.74 ALDH1A1 (0.43) CYP1A2ALDH1A1CYP3A4APPALOX15
SCHEMBL11316448 0.73 CYP1A2 (0.40) CYP1A2ALDH1A1CYP3A4APPALOX15
SCHEMBL1782075 0.72 CYP1A2 (0.47) CYP1A2ALDH1A1CYP3A4APPALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3969163-A1 BIODEGRADABLE POLYUREA/POLYURETHANE MICROCAPSULES Symrise AG (DE) 2022-03-23 EP disclosed
EP-3969162-A1 POLYUREA/POLYURETHANE MICROCAPSULES Symrise AG (DE) 2022-03-23 EP disclosed
EP-3969165-A1 BIODEGRADABLE POLYUREA/POLYURETHANE MICROCAPSULES Symrise AG (DE) 2022-03-23 EP disclosed