SCHEMBL7943869

SCHEMBL7943869

C=C(CCCC)C(=O)O.C=CC(=O)OCCCCCCCCCCCCCCCCCC

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.62
HPGD P15428 1/20 0.62
ALDH1A1 P00352 3/20 0.58
CYP3A4 P08684 1/20 0.58
HCAR2 Q8TDS4 3/20 0.51
ATM Q13315 1/20 0.43
NAAA Q02083 1/20 0.42
TP53 P04637 2/20 0.41
HIF1A Q16665 2/20 0.41
HSD17B10 Q99714 1/20 0.41
EPHX1 P07099 1/20 0.40
THRB P10828 1/20 0.39
HTR2C P28335 1/20 0.39
DGKA P23743 1/20 0.39

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
SCHEMBL30839893 0.97 TSHR (0.62) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL35962 0.97 TSHR (0.62) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL11651907 0.97 TSHR (0.62) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL30904675 0.97 TSHR (0.62) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL7753434 0.97 TSHR (0.62) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL1535107 0.97 TSHR (0.62) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL10589479 0.97 TSHR (0.62) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL10588715 0.97 TSHR (0.62) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL22607679 0.97 TSHR (0.62) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL31321714 0.97 TSHR (0.62) 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
US-6270615-B1 THERMOPLASTIC RESIN KANEKA CORPORATION (JP) 2001-08-07 US claimed
US-6270615-B1 THERMOPLASTIC RESIN KANEKA CORPORATION (JP) 2001-08-07 US disclosed