SCHEMBL4942365

SCHEMBL4942365

C=C(C)C(=O)OCC(CCCCCC)COC(=O)C(=C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.61
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
CYP3A4 P08684 2/20 0.44
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 1/20 0.42
ZDHHC7 Q9NXF8 1/20 0.42
THRB P10828 1/20 0.41
FAAH O00519 1/20 0.41
GPR84 Q9NQS5 3/20 0.39
FFAR1 O14842 1/20 0.39
CA2 P00918 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 2/20 0.38
LCK P06239 1/20 0.38
PPARD Q03181 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38

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
SCHEMBL14648259 1.00 TSHR (0.61) TSHRPRSS1PRSS2PRSS3CYP3A4
SCHEMBL7082106 0.97 TSHR (0.61) TSHRPRSS1PRSS2PRSS3CYP3A4
SCHEMBL21853803 0.97 TSHR (0.61) TSHRPRSS1PRSS2PRSS3CYP3A4
SCHEMBL730910 0.97 TSHR (0.61) TSHRPRSS1PRSS2PRSS3CYP3A4
SCHEMBL21853810 0.97 TSHR (0.61) TSHRPRSS1PRSS2PRSS3CYP3A4
SCHEMBL17941650 0.97 TSHR (0.61) TSHRPRSS1PRSS2PRSS3CYP3A4
SCHEMBL21853812 0.97 TSHR (0.61) TSHRPRSS1PRSS2PRSS3CYP3A4
SCHEMBL21853805 0.97 TSHR (0.61) TSHRPRSS1PRSS2PRSS3CYP3A4
SCHEMBL21404264 0.97 TSHR (0.61) TSHRPRSS1PRSS2PRSS3CYP3A4
SCHEMBL21853804 0.97 TSHR (0.61) TSHRPRSS1PRSS2PRSS3CYP3A4

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-20080001124-A1 Fluorescent composition and fluorescence conversion substrate using the same IDEMITSU KOSAN CO., LTD. (JP) 2008-01-03 US disclosed