SCHEMBL8409192

SCHEMBL8409192

COC(=O)c1cccc(-c2ccccc2)c1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
HPGD P15428 1/20 0.55
ALDH1A1 P00352 2/20 0.48
USP2 O75604 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
SLC6A3 Q01959 3/20 0.48
SLC6A4 P31645 2/20 0.48
NR1H4 Q96RI1 1/20 0.47
PTGER1 P34995 1/20 0.47
KDM4E B2RXH2 2/20 0.46
GAA P10253 1/20 0.46
CNR1 P21554 1/20 0.45
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45
SCN9A Q15858 1/20 0.45
BCL2L1 Q07817 1/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44

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
SCHEMBL3511761 0.88 LMNA (0.63) LMNAHPGDALDH1A1USP2TSHR
SCHEMBL25431505 0.87 ALDH1A1 (0.56) LMNAALDH1A1TSHRSLC6A3PTGER1
SCHEMBL1639034 0.86 MAOB (0.50) LMNAHPGDALDH1A1NR1H4PTGER1
SCHEMBL8797209 0.85 PTGER1 (0.55) ALDH1A1PTGER1RXRARXRBRXRG
SCHEMBL1642763 0.85 NR1H4 (0.52) LMNAHPGDALDH1A1NR1H4PTGER1
SCHEMBL27894245 0.83 PTGER1 (0.47) LMNAHPGDALDH1A1NR1H4PTGER1
SCHEMBL16039621 0.83 LMNA (0.57) LMNAHPGDALDH1A1USP2TSHR
SCHEMBL1667777 0.83 BCAT2 (0.56) PTGER1KDM4ECNR1RXRARXRB
SCHEMBL1305662 0.83 HPGD (0.57) LMNAHPGDALDH1A1USP2TSHR
SCHEMBL4831306 0.82 NR1H4 (0.56) LMNAHPGDALDH1A1TSHRHSD17B10

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-0778821-B1 ORTHO-SUBSTITUTED AROMATIC ETHER COMPOUNDS AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR PAIN RELIEF ZENECA LTD (GB) 1999-10-20 EP disclosed
US-5965741-A ANTIINFLAMMATORY, ANTIPYRETIC AND ANTIDIARRHOEAL PROPERTIES ZENECA LIMITED (GB) 1999-10-12 US disclosed