SCHEMBL6956124

SCHEMBL6956124

CCOC(C)(Cc1ccc(OCCc2nc3ccccc3c(=O)n2C)cc1)C(=O)NC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 7/20 0.50
HDAC6 Q9UBN7 2/20 0.46
HDAC8 Q9BY41 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PPARG P37231 1/20 0.45
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
UBE2N P61088 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL6955388 0.82 MAPK1 (0.61) LMNAHTTNPSR1GAACYP2C9
SCHEMBL6947078 0.82 SMN1; SMN2 (0.63) TDP1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL6950757 0.78 TNF (0.45) KDM4ETDP1PPARGLMNAHTT
SCHEMBL6952404 0.77 TNF (0.46) HDAC6HDAC8TSHRPPARGHTT
SCHEMBL6952370 0.76 PPARG (0.61) ACKR3HDAC6PPARGPPARA
SCHEMBL6956676 0.75 ACKR3 (0.54) ACKR3HDAC6HDAC8KDM4EALOX15
SCHEMBL6957101 0.75 L3MBTL1 (0.45) TSHRTDP1L3MBTL1PPARGLMNA
SCHEMBL6955334 0.74 ACKR3 (0.52) ACKR3HDAC6HDAC8KDM4EALOX15
SCHEMBL6953399 0.73 SMN1; SMN2 (0.66) TDP1LMNAHTTNPSR1GAA
SCHEMBL6947592 0.73 SMN1; SMN2 (0.65) TDP1LMNAHTTNPSR1MAPT

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
EP-0903343-B1 Alpha-Substituted phenylpropionic acid derivative and medicine containing the same SSP CO LTD (JP) 2003-05-28 EP disclosed
EP-0903343-A1 Alpha-Substituted phenylpropionic acid derivative and medicine containing the same SSP Co., Ltd. (JP) 1999-03-24 EP disclosed