SCHEMBL8516916

SCHEMBL8516916

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

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.53
NAAA Q02083 1/20 0.47
HPGD P15428 1/20 0.46
HCAR2 Q8TDS4 2/20 0.42
RAD52 P43351 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
FAAH O00519 2/20 0.41
ATM Q13315 1/20 0.41
HTR2C P28335 1/20 0.40
DGKA P23743 1/20 0.40
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
HTT P42858 1/20 0.38
EPHX1 P07099 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
SCHEMBL8517576 0.94 TSHR (0.57) TSHRNAAAHPGDHCAR2RAD52
SCHEMBL8538532 0.87 NAAA (0.57) TSHRNAAAHPGDHCAR2RAD52
SCHEMBL9165492 0.85 NAAA (0.60) TSHRNAAAHPGDHCAR2RAD52
SCHEMBL11574796 0.83 NAAA (0.58) TSHRNAAAHPGDHCAR2RAD52
SCHEMBL793169 0.81 NAAA (0.59) TSHRNAAAHPGDHCAR2RAD52
SCHEMBL11571102 0.81 ATM (0.61) TSHRNAAAHPGDHCAR2RAD52
SCHEMBL8541464 0.81 TSHR (0.44) TSHRHPGDNPSR1ALDH1A1CYP3A4
SCHEMBL10835780 0.80 HCAR2 (0.66) TSHRNAAAHPGDHCAR2NPSR1
SCHEMBL8517577 0.80 TSHR (0.74) TSHRNAAAHPGDHCAR2RAD52
SCHEMBL28653942 0.80 TSHR (0.64) TSHRNAAAHPGDHCAR2RAD52

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 4 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
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