SCHEMBL8998039

SCHEMBL8998039

CC(CN(C)C)Oc1ccccc1CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.43
AKR1B1 P15121 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CHRM1 P11229 1/20 0.42
CFD P00746 1/20 0.41
F11 P03951 1/20 0.41
TPSB2 P20231 1/20 0.41
HSD17B10 Q99714 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
LTB4R Q15722 3/20 0.38
LTB4R2 Q9NPC1 3/20 0.38
CAMK2A Q9UQM7 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
FABP4 P15090 1/20 0.38
FABP5 Q01469 1/20 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
SCHEMBL9265198 0.85 CXCL8 (0.42) CXCL8L3MBTL1AKR1B1ALDH1A1KDM4E
SCHEMBL24200105 0.83 CXCL8 (0.50) CXCL8L3MBTL1AKR1B1CHRM1CFD
SCHEMBL8086435 0.83 CXCL8 (0.50) CXCL8L3MBTL1AKR1B1CHRM1CFD
SCHEMBL3941649 0.81 CXCL8 (0.54) CXCL8L3MBTL1AKR1B1ALDH1A1KDM4E
SCHEMBL23229157 0.81 CXCL8 (0.54) CXCL8L3MBTL1AKR1B1CHRM1CFD
SCHEMBL4565147 0.77 LTB4R (0.54) CXCL8L3MBTL1AKR1B1CHRM1CFD
SCHEMBL4565149 0.77 LTB4R (0.54) CXCL8L3MBTL1AKR1B1CHRM1CFD
SCHEMBL8998082 0.76 POLB (0.52) L3MBTL1
SCHEMBL21455171 0.75 CXCL8 (0.48) CXCL8L3MBTL1AKR1B1CHRM1CFD
SCHEMBL3135922 0.74 CXCL8 (0.58) CXCL8L3MBTL1AKR1B1CHRM1CFD

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-5484942-A Thiopyranopyrrole derivatives RHONE-POULENC RORER S.A. (FR) 1996-01-16 US disclosed