SCHEMBL8675824

SCHEMBL8675824

O=C(O)c1ccccc1CC=Cc1ccc(Br)cc1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 10/20 0.48
PTGER4 P35408 6/20 0.48
PTGER2 P43116 6/20 0.48
PTGER3 P43115 5/20 0.48
FOLH1 Q04609 2/20 0.45
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP1A2 P05177 1/20 0.44
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
HDAC8 Q9BY41 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
SCHEMBL8676663 0.87 PTGER1 (0.50) PTGER1PTGER4PTGER2PTGER3FOLH1
SCHEMBL8675466 0.84 PTGER4 (0.46) PTGER1PTGER4PTGER2PTGER3FOLH1
SCHEMBL8327587 0.83 RXRA (0.49) PTGER1PTGER4PTGER2PTGER3FOLH1
SCHEMBL8327584 0.83 RXRA (0.49) PTGER1PTGER4PTGER2PTGER3FOLH1
SCHEMBL8675899 0.77 PTGER1 (0.54) PTGER1PTGER4PTGER2PTGER3FOLH1
SCHEMBL16898127 0.76 FOLH1 (0.58) PTGER1FOLH1ALDH1A1KDM4EPOLB
SCHEMBL8675826 0.76 SLC6A2 (0.46) PTGER1PTGER4PTGER2PTGER3ALDH1A1
SCHEMBL8677981 0.76 SGMS2 (0.46) PTGER1PTGER4PTGER2PTGER3FOLH1
SCHEMBL8322908 0.76 PTGER4 (0.47) PTGER1PTGER4PTGER2PTGER3ALDH1A1
SCHEMBL8322906 0.76 PTGER4 (0.47) PTGER1PTGER4PTGER2PTGER3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5811459-A PAIN RELIEVERS ZENECA LIMITED (GB) 1998-09-22 US disclosed