SCHEMBL23710443

SCHEMBL23710443

CCOC(=O)CCP(=O)(CC(CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.46
POLB P06746 1/20 0.44
HSD17B10 Q99714 1/20 0.43
CETP P11597 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 1/20 0.38
PPID Q08752 1/20 0.37
EPHX2 P34913 1/20 0.36
PPARG P37231 1/20 0.36
BCHE P06276 2/20 0.36
ACHE P22303 2/20 0.36
CACNA1F O60840 1/20 0.36
CACNA1D Q01668 1/20 0.36
CACNA1S Q13698 1/20 0.36

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
SCHEMBL23710534 0.91 FOLH1 (0.48) FOLH1HSD17B10CETPLMNAALDH1A1
SCHEMBL23710442 0.90 FOLH1 (0.45) FOLH1POLBHSD17B10CETPLMNA
SCHEMBL23705074 0.90 FOLH1 (0.52) FOLH1CETPALDH1A1MEN1HPGD
SCHEMBL14102848 0.89 FOLH1 (0.51) FOLH1HSD17B10CETPLMNAALDH1A1
SCHEMBL23710509 0.89 FOLH1 (0.44) FOLH1POLBCETPALDH1A1L3MBTL1
SCHEMBL26424221 0.86 FOLH1 (0.46) FOLH1HSD17B10CETPLMNAALDH1A1
SCHEMBL7054189 0.84 LMNA (0.46) FOLH1HSD17B10CETPLMNAALDH1A1
SCHEMBL26424198 0.83 FOLH1 (0.55) FOLH1HSD17B10CETPALDH1A1TSHR
SCHEMBL29520381 0.83 FOLH1 (0.48) FOLH1POLBHSD17B10CETPLMNA
SCHEMBL4275480 0.83 FOLH1 (0.67) FOLH1HSD17B10CETPLMNAALDH1A1

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
WO-2021155167-A1 BILE ACID-GCPII INHIBITOR CONJUGATES TO TREAT INFLAMMATORY DISEASES THE JOHNS HOPKINS UNIVERSITY (US) 2021-08-05 WO disclosed