SCHEMBL30200835

SCHEMBL30200835

C=C(C)C(=O)OCCCCCCCCCC.C=CC(=O)OCC(CC)CCCC

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.71
HPGD P15428 1/20 0.47
CYP3A4 P08684 4/20 0.45
TDP1 Q9NUW8 3/20 0.45
ATM Q13315 1/20 0.45
ALDH1A1 P00352 4/20 0.43
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
CA2 P00918 1/20 0.40
HCAR2 Q8TDS4 2/20 0.40
RECQL P46063 1/20 0.39
LMNA P02545 2/20 0.38
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PLA2G2C Q5R387 1/20 0.37
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 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
SCHEMBL1823127 1.00 TSHR (0.71) TSHRHPGDCYP3A4TDP1ATM
SCHEMBL10797039 1.00 TSHR (0.71) TSHRHPGDCYP3A4TDP1ATM
SCHEMBL6849095 0.99 TSHR (0.69) TSHRHPGDCYP3A4TDP1ATM
SCHEMBL11583553 0.98 TSHR (0.67) TSHRHPGDCYP3A4TDP1ATM
SCHEMBL9227581 0.96 TSHR (0.66) TSHRHPGDCYP3A4TDP1ATM
SCHEMBL9766284 0.95 TSHR (0.67) TSHRHPGDCYP3A4TDP1ATM
SCHEMBL7066521 0.95 TSHR (0.67) TSHRHPGDCYP3A4TDP1ATM
SCHEMBL4901912 0.95 TSHR (0.74) TSHRHPGDCYP3A4TDP1ATM
SCHEMBL16937424 0.93 TSHR (0.64) TSHRHPGDCYP3A4TDP1ATM
SCHEMBL11407971 0.92 TSHR (0.69) TSHRHPGDCYP3A4TDP1ATM

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
EP-3689590-B1 LAYERED TUBE UBE CORP (JP) 2024-08-28 EP disclosed
EP-3689591-B1 LAYERED TUBE UBE CORP (JP) 2023-01-25 EP disclosed