SCHEMBL15955679

SCHEMBL15955679

CCCCOC(=O)[C@H]1NCCC1O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 9/20 0.44
ALDH1A1 P00352 1/20 0.40
ATM Q13315 1/20 0.38
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PRCP P42785 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HCAR2 Q8TDS4 1/20 0.34
GBA2 Q9HCG7 1/20 0.34

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
SCHEMBL454181 0.94 SPHK1 (0.48) SPHK1SMN1; SMN2PRCPTSHRGBA2
SCHEMBL19973666 0.83 SPHK1 (0.39) SPHK1TSHR
SCHEMBL3388749 0.83 SPHK1 (0.39) SPHK1TSHR
SCHEMBL8427865 0.83 SPHK1 (0.39) SPHK1TSHR
SCHEMBL116264 0.83 SPHK1 (0.39) SPHK1TSHR
SCHEMBL6846988 0.83 SPHK1 (0.39) SPHK1TSHR
Hydrochloric Acid SCHEMBL953016 0.81 SPHK1 (0.38) SPHK1
Hydrochloric Acid SCHEMBL5578417 0.81 SPHK1 (0.38) SPHK1
Hydrochloric Acid SCHEMBL4489520 0.81 SPHK1 (0.38) SPHK1
SCHEMBL9768968 0.81 ALDH1A1 (0.38) SPHK1ALDH1A1ATMLMNAPOLB

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-108484720-A A kind of antihypertensive active peptide Orn-Pro-Hyp and application and pharmaceutical composition 南京大学 2018-09-04 CN disclosed
WO-2014127052-A1 PERFLUORO-TERT-BUTYL HYDROXYPROLINE ZONDLO NEAL (US) 2014-08-21 WO disclosed