SCHEMBL9906641

SCHEMBL9906641

Cc1ccc(Oc2cccc(CNC(CO)CN3CCCC3CO)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 10/20 0.42
SPHK1 Q9NYA1 12/20 0.42
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
DRD2 P14416 1/20 0.40
FFAR1 O14842 1/20 0.40
MEN1 O00255 1/20 0.39
MMP13 P45452 1/20 0.39
HRH3 Q9Y5N1 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
SCHEMBL9906651 0.92 SPHK2 (0.44) SPHK2SPHK1KMT2AKDM4EALDH1A1
SCHEMBL9906631 0.89 SPHK2 (0.39) SPHK2SPHK1KMT2AKDM4EALDH1A1
SCHEMBL9906654 0.87 SPHK2 (0.37) SPHK2SPHK1KMT2AKDM4EALDH1A1
SCHEMBL9906636 0.87 SPHK1 (0.47) SPHK2SPHK1KMT2AKDM4EALDH1A1
SCHEMBL9906639 0.85 SPHK1 (0.41) SPHK2SPHK1KMT2AKDM4EALDH1A1
SCHEMBL9906612 0.82 DRD2 (0.46) KMT2ADRD2MMP13
SCHEMBL13540766 0.82 SPHK1 (0.45) SPHK2SPHK1ALDH1A1
SCHEMBL9906718 0.79 SPHK2 (0.42) SPHK2SPHK1KMT2AKDM4EALDH1A1
SCHEMBL13540972 0.79 SPHK1 (0.43) SPHK2SPHK1ALDH1A1
SCHEMBL9906670 0.77 MEN1 (0.47) SPHK2SPHK1KMT2ADRD2MEN1

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-8198303-B2 Methods of use and compositions for the diagnosis and treatment of infectious diseases SEQUELLA, INC. (US) 2012-06-12 US disclosed