SCHEMBL9515977

SCHEMBL9515977

C=C(C)C(=O)OCC(CC)CC.C=C(C)C(=O)OCCCCCCC.C=C(C)C(=O)OCCCCCCCC.C=CC(=O)OCCCCCCC.C=CC(=O)OCCCCCCCC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.61
HPGD P15428 1/20 0.53
ALDH1A1 P00352 2/20 0.49
CYP3A4 P08684 1/20 0.49
HCAR2 Q8TDS4 3/20 0.44
ATM Q13315 1/20 0.41
THRB P10828 1/20 0.38
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NAAA Q02083 1/20 0.36
PLA2G2C Q5R387 1/20 0.36
RAD52 P43351 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
TP53 P04637 1/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL9227581 0.94 TSHR (0.66) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL9766284 0.93 TSHR (0.67) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL7066521 0.93 TSHR (0.67) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL6849095 0.91 TSHR (0.69) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL11385705 0.91 TSHR (0.62) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL30200835 0.90 TSHR (0.71) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL1823127 0.90 TSHR (0.71) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL10797039 0.90 TSHR (0.71) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL9624268 0.89 TSHR (0.77) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL6887082 0.89 TSHR (0.77) TSHRHPGDALDH1A1CYP3A4HCAR2

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-0526520-A1 MILDNESS ADDITIVES FOR SKIN CLEANSING COMPOSITIONS. MINNESOTA MINING & MFG (US) 1993-02-10 EP disclosed
WO-1991016037-A1 MILDNESS ADDITIVES FOR SKIN CLEANSING COMPOSITIONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1991-10-31 WO disclosed