SCHEMBL30186686

SCHEMBL30186686

CCOP(=O)(CCC1COC(CC(=O)O)CO1)OCC

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.40
TSHR P16473 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 1/20 0.31
ENPP2 Q13822 1/20 0.31
LPAR2 Q9HBW0 1/20 0.31

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
SCHEMBL30186704 0.73 PPARD (0.37) PPARDTSHR
SCHEMBL169924 0.71
SCHEMBL4016780 0.71
SCHEMBL3062512 0.71
SCHEMBL1592913 0.71 PPARD (0.50) PPARDTSHRENPP2LPAR2
SCHEMBL10877152 0.70 ALDH1A1 (0.42) PPARDALDH1A1
SCHEMBL30186552 0.70 PPARD (0.39) PPARDTSHR
Ethyl Acetate SCHEMBL27831154 0.69 ALDH1A1 (0.52) TSHRCYP1A2CYP2D6CYP2C9CYP2C19
Methylamine SCHEMBL27849638 0.69
Acetone SCHEMBL27831156 0.69 CYP1A2 (0.46) TSHRCYP1A2CYP2D6CYP2C9CYP2C19

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-115315263-A Cell surface receptor binding compounds and conjugates 利西亚治疗公司 2022-11-08 CN disclosed