SCHEMBL28434723

SCHEMBL28434723

C=CCCCC(CC)OC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
LMNA P02545 2/20 0.40
RECQL P46063 1/20 0.40
CTSK P43235 1/20 0.37
TSHR P16473 2/20 0.35
PLA2G2C Q5R387 1/20 0.35
PRKCA P17252 3/20 0.35
PRKCD Q05655 1/20 0.35
GLS2 Q9UI32 1/20 0.34
ABCC4 O15439 1/20 0.33
FAAH O00519 1/20 0.33
MGLL Q99685 1/20 0.33

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
SCHEMBL11122986 0.88 ALDH1A1 (0.41) USP2MAPTALDH1A1CYP3A4SMN1; SMN2
SCHEMBL16265047 0.86 TSHR (0.44) USP2MAPTALDH1A1CYP3A4SMN1; SMN2
Acetic Acid SCHEMBL28958215 0.86 TSHR (0.46) USP2MAPTALDH1A1CYP3A4SMN1; SMN2
SCHEMBL11513679 0.84 USP2 (0.41) USP2MAPTALDH1A1CYP3A4SMN1; SMN2
SCHEMBL4016772 0.84 USP2 (0.54) USP2MAPTALDH1A1CYP3A4SMN1; SMN2
SCHEMBL8648864 0.83 USP2 (0.36) USP2MAPTALDH1A1CYP3A4SMN1; SMN2
SCHEMBL11515051 0.83 USP2 (0.40) USP2MAPTALDH1A1CYP3A4SMN1; SMN2
SCHEMBL30722293 0.81 TSHR (0.52) USP2MAPTALDH1A1CYP3A4SMN1; SMN2
SCHEMBL11124230 0.81 USP2 (0.49) USP2MAPTALDH1A1CYP3A4SMN1; SMN2
SCHEMBL11041362 0.81 USP2 (0.49) USP2MAPTALDH1A1CYP3A4SMN1; SMN2

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-111417620-B Creatine prodrugs, compositions thereof, and methods of use 奥特吉尼克斯制药公司 2023-08-25 CN disclosed
CN-111417620-A Creatine prodrugs, compositions thereof, and methods of use 奥特吉尼克斯制药公司 2020-07-14 CN disclosed