SCHEMBL27480606

SCHEMBL27480606

CCN(Cc1ccccc1OCc1ccccc1)OC(=O)c1ccccc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ RXRA P19793 1/20 0.44
▸ RXRB P28702 1/20 0.44
▸ RXRG P48443 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ SLC1A5 Q15758 4/20 0.43
▸ PTGER1 P34995 3/20 0.43
▸ GAA P10253 1/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ SGMS2 Q8NHU3 2/20 0.41
▸ PTGER4 P35408 2/20 0.40
▸ PTGER3 P43115 2/20 0.40
▸ PTGER2 P43116 2/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PPIA P62937 1/20 0.40
▸ TRPM8 Q7Z2W7 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL28189905 0.80 TSHR (0.48) HTTMAPK1TSHRGAAKMT2A
SCHEMBL8700635 0.77 SLC1A5 (0.45) SLC1A5PTGER1GAAHTR1ADRD2
SCHEMBL8162048 0.76 PTGER1 (0.50) HTTMAPK1RXRARXRBRXRG
SCHEMBL27428219 0.75 GAA (0.50) HTTMAPK1RXRARXRBRXRG
SCHEMBL8706840 0.74 CCR5 (0.51) HTTPTGER1
SCHEMBL9055416 0.73 TSPO (0.48) HTTSLC1A5GAASGMS2KMT2A
SCHEMBL8162045 0.72 PTGER1 (0.56) HTTMAPK1RXRARXRBRXRG
Bicarbonate SCHEMBL27963003 0.71 HTR1A (0.61) HTTMAPK1RXRARXRBRXRG
SCHEMBL8699954 0.71 KMT2A (0.48) HTTRXRARXRBRXRGSLC1A5
SCHEMBL28177697 0.70 HCRTR1 (0.54) HTTMAPK1GAAKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1085663-C Aromatic amino ethers as analgesic agents ZENECA LTD (GB) 2002-05-29 — — CN disclosed
CN-1286254-A Aromatic amino ethers as analgesic agents ZENECA LTD (GB) 2001-03-07 — — CN disclosed
CN-1154106-A Aromatic amino ethers as analgesic agents ZENECA LTD (GB) 1997-07-09 — — CN disclosed
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