SCHEMBL11243886

SCHEMBL11243886

CCOC(=O)Cc1c(C)nn(C2CCCCC2)c1C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.46
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PDE7A Q13946 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.39
POLB P06746 2/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 2/20 0.38

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
SCHEMBL11250634 0.99 P2RX7 (0.47) P2RX7KDM4EALDH1A1HPGDHSD17B10
SCHEMBL11249329 0.83 P2RX7 (0.49) P2RX7KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6070905 0.78 PDE4D (0.47) ALDH1A1HPGDPDE7AKMT2ATSHR
SCHEMBL21462804 0.75 P2RX7 (0.44) P2RX7
SCHEMBL3322964 0.73 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL3002913 0.71 ALDH1A1 (0.47) ALDH1A1HSD17B10L3MBTL1NPSR1KMT2A
SCHEMBL20551562 0.70 MAPK1 (0.47) KDM4EALDH1A1HPGDHSD17B10PDE7A
SCHEMBL11243221 0.70 KDM4E (0.49) P2RX7KDM4EALDH1A1HPGDHSD17B10
SCHEMBL880710 0.69 NPSR1 (0.41) KDM4EALDH1A1HPGDHSD17B10PDE7A
SCHEMBL4751212 0.69 HPGD (0.42) P2RX7KDM4EALDH1A1HPGDHSD17B10

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
US-4325962-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIDYRETICS BYK-GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1982-04-20 US disclosed
US-4146721-A ANALGESICS, ANTIINFLAMMATORY AGENTS AND ANTIPYRETICS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1979-03-27 US disclosed