SCHEMBL9060780

SCHEMBL9060780

C=CC(=O)OC12CCC(CC1C(=O)OCCCC)C2

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
HPGD P15428 1/20 0.44
ATM Q13315 1/20 0.34
EPHX2 P34913 5/20 0.33
THRB P10828 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31

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
SCHEMBL655348 0.78
SCHEMBL650901 0.77
SCHEMBL7760496 0.73
SCHEMBL27646654 0.72 TSHR (0.44) TSHRHPGDATMTHRBALDH1A1
SCHEMBL9060774 0.71 TSHR (0.46) TSHRHPGDATMEPHX2THRB
SCHEMBL8942362 0.70
SCHEMBL27626041 0.70 TSHR (0.48) TSHRHPGDATMEPHX2THRB
SCHEMBL9060777 0.70 TSHR (0.44) TSHRHPGDATMEPHX2THRB
SCHEMBL9577696 0.69 TSHR (0.58) TSHRHPGDATMTHRBALDH1A1
SCHEMBL5907605 0.68

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
JP-8333304-A None JP disclosed
JP-H08333304-A ALKOXYCARBONYLNORBORNYL (METH)ACRYLATE, ITS PRODUCTION AND PHOTOSENSITIVE RESIN COMPOSITION IDEMITSU PETROCHEM CO LTD 1996-12-17 JP disclosed