SCHEMBL8517576

SCHEMBL8517576

C=CCOC(=O)C[CH]C(=O)OCCCCC

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.57
HPGD P15428 1/20 0.50
HCAR2 Q8TDS4 3/20 0.46
ATM Q13315 1/20 0.44
NAAA Q02083 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
NPSR1 Q6W5P4 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
RAD52 P43351 1/20 0.38
EPHX1 P07099 1/20 0.38
FAAH O00519 1/20 0.37
HTR2C P28335 1/20 0.36
APP P05067 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
SCHEMBL8516916 0.94 TSHR (0.53) TSHRHPGDHCAR2ATMNAAA
SCHEMBL8538532 0.87 NAAA (0.57) TSHRHPGDHCAR2ATMNAAA
SCHEMBL9165492 0.85 NAAA (0.60) TSHRHPGDHCAR2ATMNAAA
SCHEMBL11574796 0.83 NAAA (0.58) TSHRHPGDHCAR2ATMNAAA
SCHEMBL11571102 0.81 ATM (0.61) TSHRHPGDHCAR2ATMNAAA
SCHEMBL8541464 0.81 TSHR (0.44) TSHRHPGDALDH1A1CYP3A4NPSR1
SCHEMBL10835780 0.80 HCAR2 (0.66) TSHRHPGDHCAR2ATMNAAA
SCHEMBL28653942 0.80 TSHR (0.64) TSHRHPGDHCAR2ATMNAAA
SCHEMBL7594890 0.80 HCAR2 (0.66) TSHRHPGDHCAR2ATMNAAA
SCHEMBL8517577 0.80 TSHR (0.74) TSHRHPGDHCAR2NAAAALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0661310-B1 Cyclo-olefincopolymers and process for their preparation TICONA GMBH (DE) 1999-07-21 EP disclosed
EP-0661308-B1 Cyclo-olefin copolymers and process for their preparation TICONA GMBH (DE) 1999-06-02 EP disclosed
US-5756623-A MOLDING MATERIALS FOR COMPRESSION MOLDING HOECHST AG (DE) 1998-05-26 US disclosed
EP-0661310-A2 Cyclo-olefincopolymers and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1995-07-05 EP disclosed
EP-0661308-A2 Cyclo-olefin copolymers and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1995-07-05 EP disclosed