SCHEMBL27008554

SCHEMBL27008554

CC(C)CC(O)CCC=O

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
ALDH1A1 P00352 2/20 0.32
USP2 O75604 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 1/20 0.31
KISS1R Q969F8 2/20 0.31
RNPEP Q9H4A4 1/20 0.30
LAP3 P28838 1/20 0.30
SLC7A5 Q01650 1/20 0.30

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
SCHEMBL16600322 0.86 ALDH1A1 (0.35) ALDH1A1USP2CYP3A4MAPTHPGD
SCHEMBL11432463 0.83 USP2 (0.45) ALDH1A1USP2CYP3A4MAPTHPGD
SCHEMBL24182240 0.82 USP2 (0.30) ALDH1A1USP2CYP3A4MAPTHPGD
Ethylene SCHEMBL11282120 0.80 USP2 (0.46) ALDH1A1USP2CYP3A4MAPTHPGD
SCHEMBL1784052 0.77 HIF1A (0.40) ADH1BADH1CADH1AALDH1A1TSHR
SCHEMBL28733330 0.76 ALDH1A1 (0.35) ALDH1A1MAPT
SCHEMBL19302207 0.76 USP2 (0.39) ALDH1A1USP2CYP3A4MAPTHPGD
SCHEMBL8082737 0.76 USP2 (0.43) ALDH1A1USP2CYP3A4MAPTHPGD
SCHEMBL2457435 0.75
SCHEMBL28486747 0.75 ALDH1A1 (0.35) ADH1BADH1CADH1AALDH1A1TSHR

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
US-20240016190-A1 ROXBURGH ROSE AND COIX SEEDS COMPOSITE BEVERAGE AND PREPARATION METHOD THEREOF GUIZHOU UNIVERSITY (CN) 2024-01-18 US disclosed