SCHEMBL25925342

SCHEMBL25925342

C=C(C)C(=O)OC(COc1ccc(C(=O)C2=CCCC=C2)c(O)c1)COc1ccc(C(=O)c2ccccc2)c(O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.46
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 2/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
PGR P06401 1/20 0.43
CYP2D6 P10635 1/20 0.43
SLC6A2 P23975 1/20 0.43
PDE4A P27815 1/20 0.43
CYP2C19 P33261 1/20 0.43
HRH1 P35367 1/20 0.43
HTT P42858 1/20 0.43
SLC6A3 Q01959 1/20 0.43
PDE4D Q08499 1/20 0.43
MAOB P27338 7/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37
KEAP1 Q14145 1/20 0.37

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
SCHEMBL2018313 0.89 HPGD (0.54) HPGDALDH1A1MAPK1LMNACYP1A2
SCHEMBL4607568 0.84 HPGD (0.54) HPGDALDH1A1MAPK1LMNACYP1A2
SCHEMBL3359451 0.82 HPGD (0.53) HPGDALDH1A1MAPK1LMNACYP1A2
SCHEMBL4339862 0.80 HPGD (0.48) HPGDALDH1A1MAPK1LMNACYP1A2
SCHEMBL4339860 0.79 HPGD (0.51) HPGDALDH1A1MAPK1LMNACYP1A2
SCHEMBL9447781 0.78 HPGD (0.59) HPGDALDH1A1MAPK1LMNACYP1A2
SCHEMBL28452372 0.77 HPGD (0.55) HPGDALDH1A1MAPK1LMNACYP1A2
SCHEMBL23222467 0.75 HPGD (0.46) HPGDALDH1A1MAPK1LMNACYP1A2
SCHEMBL2419965 0.75 LMNA (0.58) HPGDALDH1A1MAPK1LMNACYP1A2
SCHEMBL9447785 0.75 HPGD (0.57) HPGDALDH1A1MAPK1LMNACYP1A2

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-20230244000-A1 MULTIFUNCTIONAL CROSSLINKING AGENTS AND OPHTHALMIC DEVICES FORMED THEREFROM JPMORGAN CHASE BANK, N.A., AS SUCCESSOR AGENT 2023-08-03 US disclosed