SCHEMBL8517577

SCHEMBL8517577

C=CCOC(=O)CCC(=O)OCCCCC

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.74
HTR2C P28335 1/20 0.56
NAAA Q02083 1/20 0.53
DGKA P23743 1/20 0.53
HPGD P15428 1/20 0.47
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
RAD52 P43351 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
FAAH O00519 2/20 0.45
DNM1 Q05193 1/20 0.45
HCAR2 Q8TDS4 2/20 0.43
MGLL Q99685 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
CNR1 P21554 1/20 0.42
EPHX1 P07099 1/20 0.42

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
SCHEMBL28236148 0.98 TSHR (0.77) TSHRHTR2CNAAADGKAHPGD
SCHEMBL15998912 0.98 TSHR (0.77) TSHRHTR2CNAAADGKAHPGD
SCHEMBL30517510 0.97 TSHR (0.75) TSHRHTR2CNAAADGKAHPGD
SCHEMBL29111576 0.97 TSHR (0.75) TSHRHTR2CNAAADGKAHPGD
SCHEMBL27839985 0.97 TSHR (0.75) TSHRHTR2CNAAADGKAHPGD
SCHEMBL9247349 0.95 TSHR (0.83) TSHRHTR2CNAAADGKAHPGD
Hexane SCHEMBL11329030 0.93 TSHR (0.85) TSHRHTR2CNAAADGKAHPGD
SCHEMBL28653942 0.89 TSHR (0.64) TSHRHTR2CNAAADGKAHPGD
Allyl Hexanoate SCHEMBL11653171 0.88 TSHR (0.83) TSHRHTR2CNAAADGKAPRSS1
Allyl Dodecanoate SCHEMBL4424289 0.87 TSHR (0.96) TSHRDGKAPRSS1PRSS2PRSS3

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