SCHEMBL8408564

SCHEMBL8408564

CCc1ccccc1-c1cccc(C=O)c1OCc1ccc(C(=O)OC(C)(C)C)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
PSMD14 O00487 1/20 0.35
CRHBP P24387 1/20 0.35
PPARG P37231 1/20 0.35
CRHR2 Q13324 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
PTGER4 P35408 4/20 0.35
PTGER3 P43115 4/20 0.35
PTGER2 P43116 4/20 0.35
RXRA P19793 3/20 0.35
RXRB P28702 3/20 0.35
PTGER1 P34995 2/20 0.35
RXRG P48443 2/20 0.34
LMNA P02545 3/20 0.34
RAB9A P51151 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL8406663 0.86 RXRA (0.38) MAPTKMT2AALDH1A1HPGDPPARG
SCHEMBL8797996 0.86 KMT2A (0.48) MAPTKMT2AALDH1A1HPGDKDM4E
SCHEMBL8406711 0.85 CYP1A2 (0.37) MAPTKMT2AHPGDPPARGRXRA
SCHEMBL8466222 0.83 RXRA (0.35) MAPTKMT2AHPGDPPARGPTGER4
SCHEMBL8409348 0.83 SIRT2 (0.36) MAPTKMT2AHPGDRXRARXRB
SCHEMBL8406670 0.83 CA12 (0.36) MAPTKMT2AHPGDRXRARXRB
SCHEMBL8408562 0.83 PTGER4 (0.44) KMT2AHPGDPTGER4PTGER3PTGER2
SCHEMBL8409341 0.76 PTGER1 (0.49) MAPTPTGER4PTGER3PTGER2RXRA
SCHEMBL1185406 0.75 LMNA (0.41) ALDH1A1HPGDPTGER4PTGER3PTGER2
SCHEMBL8409645 0.75 MAPT (0.48) MAPTKMT2AALDH1A1HPGDRXRA

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