SCHEMBL29595708

SCHEMBL29595708

CCOC(=O)[C@@H]1CC[C@H](C)CC1=O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
MAPT P10636 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 2/20 0.51
GAA P10253 2/20 0.51
HPGD P15428 2/20 0.51
HSD17B10 Q99714 2/20 0.51
TLR4 O00206 1/20 0.43
CYP2D6 P10635 1/20 0.39
PPM1B O75688 1/20 0.39
PTPN1 P18031 1/20 0.39
PPP1CC P36873 1/20 0.39
RAB9A P51151 1/20 0.39
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
ALOX12 P18054 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
SCHEMBL127645 1.00 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL20263548 1.00 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL20263549 1.00 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL29595550 1.00 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL30412070 0.89 ALDH1A1 (0.48) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL20263551 0.87 PPM1B (0.42) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL11676672 0.84 ALDH1A1 (0.49) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL5739433 0.81 ALDH1A1 (0.50) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL3196831 0.81 ALDH1A1 (0.56) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL4548466 0.80 ALDH1A1 (0.38) ALDH1A1MAPTMEN1KMT2ATLR4

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-108203382-B Novel organoleptic compounds 国际香料和香精公司 2022-03-04 CN disclosed