SCHEMBL18653587

SCHEMBL18653587

COCCCCCC(=O)NCCCCCC=O

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.62
▸ CNR1 P21554 1/20 0.49
▸ EPHX2 P34913 2/20 0.49
▸ SLC6A5 Q9Y345 2/20 0.48
▸ LPAR1 Q92633 3/20 0.47
▸ LPAR2 Q9HBW0 2/20 0.47
▸ ENPP2 Q13822 1/20 0.47
▸ HPGD P15428 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ HTT P42858 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ RECQL P46063 1/20 0.43
▸ BCHE P06276 1/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ ACHE P22303 1/20 0.43

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
SCHEMBL21415446 0.95 TSHR (0.64) TSHRCNR1EPHX2SLC6A5LPAR1
SCHEMBL13347916 0.89 CNR1 (0.60) TSHRCNR1EPHX2LPAR1LPAR2
SCHEMBL14262301 0.87 TSHR (0.81) TSHRCNR1HPGDMEN1KMT2A
SCHEMBL17776037 0.87 EPHX2 (0.56) CNR1EPHX2SLC6A5LPAR1HPGD
SCHEMBL21554118 0.86 TSHR (0.56) TSHRCNR1EPHX2SLC6A5LPAR1
SCHEMBL18653591 0.84 EPHX2 (0.46) TSHRCNR1EPHX2SLC6A5LPAR1
SCHEMBL18736125 0.84 EPHX2 (0.72) CNR1EPHX2SLC6A5LPAR1LPAR2
SCHEMBL10311846 0.83 TSHR (0.59) TSHRCNR1LPAR1LPAR2ENPP2
SCHEMBL17154348 0.83 TSHR (0.51) TSHRCNR1EPHX2LPAR1LPAR2
SCHEMBL18973140 0.83 EPHX2 (0.51) CNR1EPHX2SLC6A5LPAR1HPGD

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
EP-3228651-A1 A METHOD FOR PREPARING POLYESTERAMIDES BY ORGANIC CATALYSIS Nanjing Tech University (CN) 2017-10-11 — — EP disclosed
US-20170081475-A1 METHOD FOR PREPARING PLOYESTERAMIDES BY ORGANIC CATALIYSIS NANJING TECH UNIVERSITY (CN) 2017-03-23 — — US disclosed
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