SCHEMBL8677682

SCHEMBL8677682

CC(c1ccccc1OCc1ccccc1)C1(O)C=CC=CC1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.39
SLC6A9 P48067 1/20 0.39
SLC6A5 Q9Y345 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
BRD4 O60885 2/20 0.38
KDM4E B2RXH2 2/20 0.38
PTGER1 P34995 2/20 0.38
PTGER4 P35408 2/20 0.38
PTGER3 P43115 2/20 0.38
PTGER2 P43116 2/20 0.38
ALDH1A1 P00352 2/20 0.37
LIPE Q05469 1/20 0.36
CREBBP Q92793 1/20 0.36
SGMS2 Q8NHU3 4/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
HTT P42858 1/20 0.36
RXRA P19793 2/20 0.36
RXRB P28702 1/20 0.36

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
SCHEMBL8675458 0.85 TDP1 (0.37) TDP1SLC6A9SLC6A5MAPTMAPK1
SCHEMBL8674770 0.72 HTR1A (0.47) TDP1MAPTL3MBTL1KDM4EPTGER1
SCHEMBL8682572 0.70 BRD4 (0.51) TDP1SLC6A9SLC6A5MAPTMAPK1
SCHEMBL27833448 0.70 BRD4 (0.51) TDP1SLC6A9SLC6A5MAPTMAPK1
SCHEMBL8323310 0.70 BRD4 (0.51) TDP1SLC6A9SLC6A5MAPTMAPK1
SCHEMBL8674678 0.70 HTR1A (0.44) L3MBTL1PTGER1PTGER4PTGER3PTGER2
SCHEMBL5284629 0.68 ALDH1A1 (0.39) TDP1MAPTMAPK1L3MBTL1KDM4E
SCHEMBL3458384 0.68 TDP1 (0.55) TDP1MAPTMAPK1L3MBTL1BRD4
SCHEMBL8326325 0.68 RXRA (0.49) TDP1MAPTMAPK1L3MBTL1BRD4
SCHEMBL8317971 0.68 LIPE (0.51) TDP1MAPTMAPK1L3MBTL1BRD4

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