SCHEMBL11705274

SCHEMBL11705274

COCc1oc2c(CC(=O)O)cccc2c1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.45
STING1 Q86WV6 1/20 0.45
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 1/20 0.40
CYP2D6 P10635 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP12 P39900 1/20 0.38
CFD P00746 3/20 0.37
F11 P03951 2/20 0.37
TPSB2 P20231 2/20 0.37
PTGER4 P35408 2/20 0.37
PTGER1 P34995 1/20 0.37
PTGER3 P43115 1/20 0.37
PTGER2 P43116 1/20 0.37
AKR1B1 P15121 1/20 0.36
PLG P00747 1/20 0.36
PLAU P00749 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
SCHEMBL11704655 0.88 PTGS1 (0.46) GLASTING1KDM4ETDP1MAPT
SCHEMBL11549030 0.86 GLA (0.48) GLASTING1KDM4ETDP1MAPT
SCHEMBL11705739 0.80 GLA (0.53) GLASTING1KDM4ETDP1MAPT
SCHEMBL11562028 0.78 TDP1 (0.47) GLASTING1KDM4ETDP1CYP2D6
SCHEMBL11706504 0.78 TDP1 (0.47) GLASTING1KDM4ETDP1SMN1; SMN2
SCHEMBL11560079 0.78 TDP1 (0.47) GLASTING1KDM4ETDP1CYP2D6
SCHEMBL11554914 0.76 GLA (0.43) GLASTING1KDM4ETDP1CYP2D6
Methylamine SCHEMBL10761577 0.76 GLA (0.44) GLASTING1KDM4ETDP1CYP2D6
SCHEMBL20763280 0.73 STING1 (0.72) GLASTING1KDM4EMEN1KMT2A
SCHEMBL9550449 0.72 GLA (0.56) GLASTING1KDM4ETDP1MAPT

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-4013692-A ANTIINFLAMMATORY, ANTIPYRETICS, ANALGESICS RIKER LABORATORIES, INC. (US) 1977-03-22 US claimed
US-4013692-A ANTIINFLAMMATORY, ANTIPYRETICS, ANALGESICS RIKER LABORATORIES, INC. (US) 1977-03-22 US disclosed